908-788-5550

NIST 14 Gas Chromatography (GC) Library with Search Software 2014

Home
NIST 14 Gas Chromatography (GC) Database with Search Software and Retention Indicies (RI) (2014)
Hover over image to zoom
Price: 400
Product ID : 841010GC
841010GC NIST GC DATABASE 2014

Description

A library of 82,337 chemical compounds analyzed by gas chromatography, including 385,872 GC method and retention index citations from literature. Supersedes the 2011 version.

Main capabilities:

  • Search for compounds based on name, synonym, CAS number, chemical formula, elements present, fragment name, or retention index range. It also supports structure similarity search to locate related compounds similar in structure to given compound in the database (or imported .MOL chemical structure file), sorted by degree of similarity each with displayed structure. The search results for individual hits can be constrained by column type (packed or capillary), stationary-phase type (polar or non-polar), GC temperature conditions (isothermal or temperature programmed), and/or retention index type (Lee or Kovats).
  • View information on a compound, such as name, synonyms, formula, and MW, along with a list of GC methods previously used to analyze that compound (GC column type, GC method conditions, measured retention index (RI), and literature citation with paper title).
  • Predict retention indices (RI) from the cited values of the given compound or structurally related compounds in the database. Both experimentaly measured RI values and those estimated based purely on structure are provided. The software can also predict retention indices from an unknown imported chemical structure (.MOL file, which requires having an external structure drawing program).

Specifications

NISTGC 2014NISTGC 2011NISTGC 2008
# of retention index values 385,872 346,757 224,038
# of compounds (*) 82,337 70,838 44,008
# of references cited not listed 5,368 4,632
Number of compounds with column type (in nist_ri library)
=========================================================
N: Standard non-polar          : 27283
M: Semi-standard non-polar     : 61389
P: Standard polar              : 11503
M+N: Std or Semi-Std non-polar : 80163
M+N+P: Non-polar or polar      : 82296
S: All column types (calibra-  : 40
   tion, included in all of the above)
Number of failed RI estimations: 1432

(*) Each with name, synonyms, chemical formal, chemical structure diagram, number (e.g. CAS).

  • Database contains 82,337 compounds common in GC analysis. Each has a name, synonyms, chemical formal, MW, chemical structure diagram, ID/CAS number, and one or more GC data sets (GC column type, GC method conditions, retention index, and literature citation pertaining to the compound). There are 385,872 retention index values total.
  • Included search program to search, browse, and view the database (screenshot).
  • The database and search program are a subset of the renowned NIST 14 (NIST/EPA/EPH) Mass Spectral Library. It differs in that it contains only the GC information (no MS information), is under one-fifth the cost, and the search program is a bit more streamlined for GC data searching.

Database Description

The NIST Retention Index Database provides retention index data and gas chromatographic conditions for compounds on polar and non-polar stationary phase used with packed and open tubular columns.

Each citation (retention index value and GC method) contains the complete bibliographical information and title of the research paper it was taken from. Details of the gas chromatographic method used to obtain the retention index are also provided. If a compound is in the NIST/EPA/NIH Mass Spectral Database (NIST MS), it is so noted in the text information provided about the compound. There are 38,648 such compounds.

Many of the compounds are indexed by multiple names (Synonyms). All the compounds are indexed by elemental composition (Formula), nominal mass (MW), Chemical Abstracts Services registry number (CAS#), and a sequence number corresponding to their position in the NIST Retention Index Database (ID#).

In addition, estimated non-polar retention index (n-alkane series) values, based on structure, are provided for each compound.

Search Program Description

A search program (nistmsri.exe) is included for browsing, searching, and viewing the database (screenshots below).

Data can be retrieved through an incremental name search, a CAS# search, a MW search, a formula search, or a structure search. In addition, the database can be searched by multiple variables that can be used to constrain the above-mentioned searches. A search can be performed over a molecular weight (nominal mass) range. A search can be constrained to the elements present and/or the number of each element present. Searches can be constrained for name fragments present in the main database name and in the synonym list.

The search results for individual hits can also be constrained according to column type (packed or capillary), stationary-phase type (polar or non-polar), GC temperature conditions (isothermal or temperature programmed), and/or retention index type (Lee or Kovats).

The program has three tab-activated windows, each window having its own specific functions: Names Window (where searches by compound name (main database name) or synonym are carried out); Other Search Window (which is used for Formula, CAS#, MW, or the Sequential Method searches); and the Structure Search Window (where a list of compounds is produced that have a similar structure to a submitted structure).

The general features of all windows are described in more detail in the program help file.

Screenshots / Examples

The following screenshots illustrate basic usage of the search program. The program contains three tabs at the bottom for selecting different modes of searching and browsing. Each tab has multiple panels to display data.

screenshot of name search
Figure: Typing the first letters of the name "Vetranquil", or any synonym, brings up a list of similar names and chemical structures (left). Selecting one of these compounds brings up details on the compound (right).
screenshot of other search
methods
Figure: Other more advanced search filters can be constructed. Here, we list all compounds with molecular weight between 50 and 100 u, with more than 1 sulfur atom, and with more than 0 carbon atoms. The "Name Fragment" option also allows some filtering by chemical group (for instance, to limit the search to alcohols, specify the fragment name "ol".)
screenshot of structure
search
Figure: The structure similarity search option displays a list of all compounds with a structure similar to the selected compound, ranked by similarity ("distance"). Here we see that caffeine is structurally similar to a number of compounds, including theobromine (differs only by a CH3 group).
screenshot of RI search
Figure: The retention index (RI) search option displays a list of all compounds with a given range of retention indices. The results can be further narrowed by other constraints like GC column type and compound mass.

Quality / Source

The NIST GC Database was developed by the same people at the National Instruments of Standards and Technology (NIST) who brought you the NIST 14 (NIST/EPA/EPH) Mass Spectral Library. Most index values were abstracted from the open literature and then compared to replicate values (about 10 per compound) and estimates to find and remove errors.

System Requirements

The NIST GC Retention Index Search Program is compatible with Windows 10, 8.1, 8, 7, Vista, and XP SP2.

Which GC datasystem you have does not matter. Unlike the full NIST MS 14 database, the NIST GC library software does not need to interface to GC data systems (e.g. ChemStation, Xcalibur, Saturn, etc.).

The database and software use 320 MB of disk space.

Demo

There is no demo of the NIST GC library itself. However, you may instead try out the demo of the full NIST MS (plus GC) library. The NIST GC library is a subset of the database and search software in the full NIST MS library--it contains only the GC parts as shown in the above screenshots and only contains compounds with GC retention indices. Furthermore, the demo version contains a much smaller database than the full version. Therefore, the demo is only intended to provide a general idea of the user interface and operation.

Package Contents

  • Package consists of one CD containing the installer for the database and software program. The documentation is included on the CD and contains a Windows help file.

Detailed Statistics

Counts of records with each parameter value:

  • Column Info:
    • Column Type: Capillary (359943), Packed (26438), Other (1037), [unspecified] (46)
    • Column Class: Semi-standard non-polar (176880), Standard non-polar (119731), Standard polar (90807), All column types (45), [unspecified] (1)
    • Column Diameter:
      0.25 mm (181914), 0.32 mm (61954), [unspecified] (61910), 0.2 mm (13992), 0.22 mm (13983), 0.19 mm (7221), 0.20 mm (7140), 0.33 mm (4805), 0.53 mm (4126), 0.3 mm (3482), .19 mm (3230), 0.26 mm (2787), 0.30 mm (2382), 0.5 mm (2003), 0.28 mm (1705), 0.27 mm (1347), 0.31 mm (1264), 0.23 mm (1195), 0.50 mm (1084), 0.18 mm (864), 0.1 mm (729), 0.35 mm (615), 0.03 in (611), 0.75 mm (561), 0.64 mm (338), 0.24 mm (325), 0.55 mm (312), 0.252 mm (308), 0.21 mm (295), 0.15 mm (273), 0.259 mm (246), 0.10 mm (237), 0.264 mm (220), 250 um (177), 0.317 mm (177), 0.321 mm (169), 0.235 mm (161), 0.256 mm (158), .25 mm (156), 0.39 mm (152), 0.249 mm (150), 0.248 mm (150), 0.247 mm (149), 0.13 mm (146), 0.125 in (138), 0.02 in (129), 0.66 mm (120), 0.258 mm (119), 0.762 mm (113), 0.49 mm (112), 0.52 mm (112), 0.37 mm (108), 0.01 in (102), 0.76 mm (83), 0.325 mm (82), 0.29 mm (76), 0.40 mm (75), 1 mm (62), 0.234 mm (60), 0.16 mm (58), 0.6 mm (51), 0.322 mm (48), 0.34 mm (47), .32 mm (45), 0.05 mm (44), 0.4 mm (44), 0.70 mm (40), 0.332 mm (36), 0.182 mm (33), 0.36 mm (32), 0.315 mm (31), 0.053 mm (31), 3.17 mm (30), 0.9 mm (27), 2.5 mm (24), 0.8 mm (22), 0.320 mm (19), 0.205 mm (16), 0.25 in (14), 0.319 mm (13), 0.7 mm (12), 0.076 mm (11), 310 um (10), 125 um (10), 0.257 mm (9), 0.51 mm (9), 0.14 mm (4)
    • Column Length:
      30 m (164325), 60 m (50092), 50 m (41580), 25 m (38669), [unspecified] (37438), 100 m (6929), 15 m (5041), 2 m (4527), 20 m (2961), 3 m (2841), 12 m (2795), 10 m (1625), 1 m (1464), 80 m (1360), 150 m (1354), 1.8 m (1331), 50 ft (1296), 40 m (1117), 6 ft (1092), 1.5 m (794), 2.1 m (790), 12.5 m (627), 45 m (621), 22 m (596), 3.05 m (584), 12 ft (577), 20 ft (552), 2.5 m (512), 120 m (478), 2.4 m (472), 10 ft (447), 500 ft (434), 70 m (398), 4 m (381), 6 m (347), 1.1 m (337), 1.2 m (325), 300 ft (311), 5 m (301), 55 m (300), 200 m (273), 17 m (272), 85 m (260), 0 m (247), 3.3 m (246), 2.25 m (243), 18 m (233), 19 m (230), 27 m (221), 93 m (210), 52 m (207), 24 ft (206), 108 m (205), 2.7 m (205), 180 m (201), 54 m (189), 110 m (186), 0.6 m (185), 1000 ft (170), 600 ft (164), 278 m (155), 74.6 m (151), 24 m (149), 25.5 m (149), 26 ft (136), 46 m (134), 16.6 m (123), 250 m (120), 23 m (115), 28 m (115), 5 ft (108), 3.7 m (106), 195 m (101), 35 m (99), 2.3 m (98), 29 m (92), 75 m (86), 107 m (83), 7.5 m (80), 17.5 m (78), 105 m (78), 26 m (78), 1.50 m (77), 127 m (72), 33 m (70), 2.0 m (70), 62 m (69), 42 m (67), 200 ft (64), 8 ft (63), 13 ft (63), 0.32 m (62), 3 ft (60), 300 m (58), 33.3 m (57), 0.60 m (57), 0.9 m (50), 2.55 m (50), 3.6 m (48), 111 m (48), 91.4 m (46), 86.3 m (45), 2.8 m (42), 8 m (41), 65 m (39), 6.145 m (39), 90 m (39), 2.9 m (39), 39 m (38), 51 m (38), 3.5 m (38), 4 ft (37), 10.5 m (37), 1.0 m (37), 31 m (36), 152 m (35), 37 m (35), 64 m (34), 3.5 ft (34), 5.5 m (32), 115 m (31), 1.4 m (30), 5.6 m (29), 73 m (27), 36 m (27), 19.6 m (26), 1.6 m (26), 16.5 m (26), 3.1 m (25), 9 ft (24), 13.5 m (23), 1.83 m (22), 3.2 m (21), 68 m (21), 47 m (20), 21.5 m (20), 15.24 m (20), 1.75 m (19), 57 m (18), 1.3 m (18), 2 ft (17), 1.52 m (17), 15 ft (16), 59 m (16), 75 ft (16), 1.82 m (15), 9.5 m (15), 2.26 m (14), 2.13 m (13), 43 m (13), 31.3 m (12), 1.524 m (12), 69.7 m (12), 26.5 m (12), 213 m (12), 0.25 m (10), 22.6 m (10), 1.22 m (10), 0.8 m (10), 45.7 m (9), 4.5 m (9), 7 ft (8), 6.1 m (8), 1. m (6), 150 ft (6), 14 m (6), 2.6 m (6), 7 m (3), 58 m (3), 0.76 m (1)
    • Active Phase:
      DB-5 (34149), DB-Wax (23216), DB-1 (23006), SE-30 (21092), HP-5 (19401), OV-101 (17589), Carbowax 20M (13257), HP-5MS (12830), Squalane (11073), OV-1 (8950), Methyl Silicone (7179), VF-5MS (6923), CP Sil 5 CB (6540), Supelcowax-10 (6220), BP-1 (5781), HP-1 (5684), HP-5 MS (5675), SE-54 (5360), DB-5MS (4570), Apiezon L (4331), SPB-1 (4108), OV-351 (4003), HP-Innowax (3943), BPX-5 (3499), PEG-20M (3389), BP-20 (3319), SE-52 (3246), CP Sil 8 CB (3244), FFAP (3051), CP-Wax 52CB (2841), HP-Innowax FSC (2734), SPB-5 (2732), RTX-1 (2433), Ultra-1 (2370), RTX-5 (2293), Innowax (2056), Innowax FSC (1959), Petrocol DH (1606), DB-5 MS (1485), Ultra-2 (1473), RTX-Wax (1455), Polydimethyl siloxane (1393), PEG 4000 (1299), ZB-5 (1237), DB-FFAP (1192), OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. (1149), ZB-Wax (1111), Carbowax (1089), HP-Wax (1044), SLB-5 MS (1033), AT-Wax (959), Apiezon M (947), Polydimethyl siloxanes (904), Stabilwax (902), HP-20M (861), Polydimethyl siloxane with 5 % Ph groups (836), Vacuum Grease Oil (VM-4) (835), TC-Wax (833), PEG-40M (786), BP-5 (759), SF-96 (751), ZB-1 (721), RSL-200 (707), Apolane (657), PEG-2000 (635), CP-Sil 8CB-MS (607), Cross-Linked Methylsilicone (587), PONA (569), SP-1000 (567), HP-FFAP (559), VF-5 MS (559), CP-Sil 5 CB (533), RTX-5 MS (529), HP Innowax FSP (502), SOLGel-Wax (459), Supelcowax (420), MDN-5 (420), HP-101 (411), Supelcowax 10 (409), CP-WAX 57CB (402), Polyethylene Glycol 4000 (401), CBP-1 (394), SLB-5MS (383), DC-200 (378), Mega 5MS (354), DB-Wax Etr (331), Dexsil 300 (328), NB-30 (328), SP-2100 (309), Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. (305), C78, Branched paraffin (287), Petrocol DH-100 (280), [unspecified] (278), HP-PONA (278), LM-5 (277), Polydimethyl siloxane: CP-Sil 5 CB (276), HP Innowax (271), OV-3 (270), E-301 (265), PTE-5 (259), Polyethylene Glycol (249), CBP-5 (235), TR-5 MS (231), TC-FFAP (218), DB-1MS (209), CP-Wax (207), CP-Wax 52 CB (205), AT-5 (200), PE-5 (198), VF-5 (196), EC-WAX (194), RTX-1 PONA (193), CP-Sil (188), CP-Sil5 CB MS (187), Polymethylsiloxane, (PMS-20000) (170), Siloxane, 5 % Ph (168), DB-1HT (166), Apieson L (164), Polydimethyl siloxane, 5 % phenyl (164), DB-1-MS (157), Apieson L / KOH (154), 5 % Phenyl polydimethyl siloxane (153), Porapack Q (153), NB-351 (150), HG-5 (147), Optima-5 (146), PMS-100 (142), Superox 0.6; Carbowax 20M (142), HT-5 (142), Megawax (138), Nonpolar (137), CP Wax 52 CB (135), SPB-Sulfur (134), Supelco CO Wax-10 (131), Supelko CO Wax (129), Optima-1 (128), DB-Petro (127), CB-1 (122), CP Sil 2 (120), CP-Sil 5 (119), OV-5 (119), MFE-73 (118), NB-20M (113), Apiezon (113), EC-1000 (111), Elite-5 MS (110), PEG (109), Carbowax 20M / KOH (109), CP-Wax 58CB (106), Ultra-ALLOY-5 (106), Elite-5MS (103), BPX5 (101), EC-5 (101), Lucopren G (silicone elastomer) (100), Nukol (100), DBP-5 (99), TR-1 (99), Carbowax 40M (96), Elite-1 (94), Apiezon L + KF (93), SE-30+Igepal (92), Col-Elite 5MS (92), Polydimethyl siloxane, unknown content of Ph-groups (92), TC-WAX FFS (91), Apieson M (89), RTx-1 (88), JXR (88), Carbowax 20M-TPA (86), RSL-150 (84), Optima 5 (83), SW-10 (83), RTX-5Sil (80), VF-Wax MS (80), DB-1 MS (79), CP-Sil PONA GB (75), CP-Sil 8 CB (74), NB-54 (74), PE-5ht (74), ZB-1 MS (73), PB-1 (71), methyl silicone oil with 5% Igepal (70), Optima-5MS (69), Silicon High Vacuum Grease (obsolete) (69), RTx-5 Sil MS (68), Carbowax-PEG (65), CBP-20 (65), CW 20M (64), LM-1 (63), SF96+Igepal (60), DC-400 (59), Synachrom (58), Rxi-5 MS (57), FSOT-RSL-200 (57), Methyl phenyl siloxane (not specified) (56), PE-Wax (56), Ultra 2 (55), Mega-5 (54), Optima-5 MS (53), EC-1 (52), CP-Sil 5 Cb (52), PoraPLOT Q (51), UCW-98 (51), Polydimethyl siloxane with 5 % phenyl groups (50), Ultra 1 (49), Polyethylene glycol (Free Fatty Acid Phase) (49), ZB-5 MS (48), 5 % Phenyl methylsiloxane (48), DP-5 (47), Equity-5 (46), Methylsiloxane, 5 % Ph groups (45), XTI-5 (45), Triacontane (44), CAM (44), SE-33 (44), Apiezon LH + KF (42), Stabilwax DA (42), Equity-5MS (42), PEG 20M (40), PS-255 (39), SE-30 MS (39), ZP-5 (39), DB-Petro 100 (39), TR-WAX (38), VB-5 (38), SP 2100 (37), Optima 1 (36), OV-73 (36), LM-120 (35), MS5 (35), PMS-1000 (35), PEG-20M Innowax (35), PE-5ms (35), FFAP-CB (35), PEG-1000 (34), CP-Wax CB (33), Se-30 (33), TRWAX (33), Mega 5 MS (32), HP5-MS (31), Polydimethyl siloxane with 5 % Ph (31), MDN-5S (29), NB-5 (28), AT-1 (28), Apiezon N (28), Silicone oil (27), Polidimethyl siloxane (27), AquaWax (27), HP20Wax (26), TC-WAX (26), BP-21 (26), Methylsiloxane + 5 % Ph-groups (26), PoraPLOT (24), Equity-5 MS (24), Permaphase DMS (24), Cross-linked FFAP (24), RTX-5Sil MS (23), DB-Innowax (23), CP Sil-5 CB (23), CP-Wax 57 CB (23), Carbowax 20M + Igepal (20:1) (23), Carbowax PEG CB (23), RTX-5 Sil MS (22), Solgel-1 (SGE) (22), PEG-40M/KF (22), Apiezon L + KOH (21), SSP-1 (21), VF-1 MS (21), Carbowax 4000 (21), SPD-1 (20), C103H208 (20), WG-11 (20), Supelcowax-20M (19), Durabond-5 (19), CP-Sil8 (18), SE-30 (10 %) + CW-20M (1 %) (18), SBP-5 (18), ZB-FFAP (16), HP-5 MS, DB-5 MS (16), DB5-30W (16), HP Ultra 2 (16), Methyl silicone (15), CP-SIL8 (14), HP Ultra 1 (14), DB-5HT (14), SLB-5ms (14), Adamantyl siloxane (14), 5 % Phenyl silicone (13), ZEBRON-5 (13), Octacosane (12), OV-101 + Igepal (11), Carbowax 6M (11), PEG-40M+KF (10), Carbowax 6000 (10), TC-1 (10), DB-5; CP-Sil 8 CB (10), VA-5 MS (9), MPS-5 (8), WAX 51 (8), n-Dotriacontane (7), HP Ultra-1 (7), BPA-1 (7), Chromosorb 101 (6), Dexsil 400 (6), SE-52/54 (6), DB-1 HT (6), RH-5MS (6), PE-1HT (5), HP-1MS (4), OV-22 (3), C30W (2), RTV-502 (2), SPB-1000 (1), GP SP 2100 DB (1), Polydimethyl siloxane, 5 % phenyl groups (1), Ultra-1 PONA (1)
    • Substrate:
      Chromosorb W (1567), Chromosorb P (1244), Chromosorb W AW DMCS (1010), Celite 545 (813), Celite 545 (44-60 mesh) (714), Gas Chrom Q (710), Chromosorb W HP (706), Celite (614), Chromosorb G HP (603), Chromosorb W, AW-DMCS (506), Gas-Chrom Q (451), Gas Chrom P (438), Chromosorb W AW (404), Supelcoport (380), Chromosorb W HP (80-100 mesh) (340), Chromosorb W-AW (327), Chromosorb W AW (60-80 mesh) (301), Chromosorb G (289), Chromosorb G AW DMCS (80-100 mesh) (268), Chromosorb W DMCS (263), Gas-Chrom Q (100-120 mesh) (261), Chromosorb (251), Chromosorb A AW (246), Chromosorb G (100-120 mesh) (238), Embacel (237), 1% se-30 on Anachrom ABS(80-100mesh) (230), Chrom W (228), Gas Chrom Q (80-100 mesh) (213), Chromosorb G HP (80-100 mesh) (209), Supelcoport; Chromosorb (205), Untreated celite (204), Chromosorb W (60-80 mesh) (180), Chromaton N-AW-DMCS (163), Chromosorb W AW DMCS HP (80-100 mesh) (162), Gas Chrom Q (100-120 mesh) (154), 100-120 mesh (148), Chromosorb W (80-100 mesh) (137), Chromosorb AW (113), Chromosorb G 60-80mesh DMCS (110), Chromaton N-AW (104), Celaton (62-72 mesh) (101), Celite 560 (100), Celite 545 (0.12-0.15 mm) (100), Gas Chrom P (100-120 mesh) (98), Gaschrom Q (97), DCMS-treated Chromosorb W (96), Supelcoport and Chromosorb (90), Chromosorb W AW DMS (80-100 mesh) (90), Chromosorb P(DMCS) (90), Chromosorb W AW DMCS (80-100 mesh) (90), Chromosorb GAW (89), Diatoport S (88), W-AW-DMCS (85), Diatoport P (82), GasChrom Q (81), Chromosorb (100-120 mesh) (80), Gas-Chrom Z (80-100 mesh) (80), Chromosorb G AW (80-100 mesh) (80), Anakrom (78), Chromosorb WAW (60-80 mesh) (77), Celatom silanized (62-72 mesh) (75), Chromosorb W HMDS (60-80 mesh) (72), Chromosorb W AW DMS (71), Chromosorb W AW (80-100 mesh) (71), Chromosorb P AW DMCS (70), Celite (40:60 Gewichtsverhaltnis) (68), Gas Chrom P (60-80 mesh) (63), Celite 545 (0.20-0.50 mm) (63), AW-DMCS (62), Chromosorb W AW DMC (60), Supelcoport (100-120 mesh) (59), Gas-Chrom Q (80-100 mesh) (59), Gas-Pak (60-80 mesh) (59), Synachrom (60-80 mesh) (58), Chromosorb G-AW-DMCS (54), Chromosorb W AW-DCMS (53), GAs Chrom Q (80-100 mesh) (52), Chromosorb G (80-100 mesh) (52), Kieselgur (60-100 mesh) (52), Anakrom AB (52), Chromosorb P (60-80 mesh) (50), Chromosorb Q (60-80 mesh) (49), Chromaton N-AW-HMDS (47), Gas Chrom S (47), Chromosorb G, AW-DMCS (47), not specified (46), Chromaton N AW HMDS (0.20-0.25 mm) (46), Chromatone N AW DNCS (44), Chromosorb G AW DCMS (44), Chromosorb G AW DMCS (42), Gaschrom (42), Chromosorb Q (39), Chromosorb W HMDS (80-100 mesh) (39), Chromosorb W AW-DMCS (39), Diatoport S (60-80 mesh) (38), Chromosorb W, AW/DMS (37), Silocel C.22 (60-65 mesh) (36), Gas-Chrom Q (60-80 mesh) (35), Celite C-22 (34), Gas-Chrom P (80-100 mesh) (34), Silanized white support (33), Chromaton N AW DMCS (32), Chromaton W AW (32), Chromosorb W AW HMDS (30), Chromosorb G AW DMCS (100-120 mesh) (29), Chromosorb W AW/DMCS (29), Celatom AW silanized (29), A silanized white support (29), Chromaton N Super (75-100 mesh) (29), Chromosorb GHP (28), Chromosorb W HMDS HP (00-120 mesh) (28), Chromatron N-AW-HMDS (28), Uniport HP (27), Chrompack (27), N-AW Chromaton (27), Celite 560 silanized (26), Chromosorb WAW DNCS (26), Chromosorb NAW (26), Risorb (0.2-0.3 mm) (25), Chromasorb W (25), Chromosorb W HP (100-120 mesh) (24), Chromosorb W, AW/DMCS (24), Chromosorb P.A.W.D.M.C.S. (24), Chromosorb W(100-120 mesh) (23), GAS PAK F (23), Varaport 30 (100-120 mesh) (23), Supelcoport (80-100mesh) (22), Supelcoport (80-100 mesh) (22), Chromaton N-AW-GMDS (22), Phasesep W (10 %) (21), Chromosorb G-AW (20), Celite 545 (0.20-0.25 mm) (20), Chromosorb WAW DMCS (20), AW-DMCS Chromosorb W HP (19), Chromosorb P AW DMCS (60-80 mesh) (19), Chromosorb W-AM (19), Chromosorb W DCMS (100-120 mesh) (18), Chromosorb 750 (17), Gas Chrom P and Chromosorb W (17), Gas Chrom P (120-140 mesh) (16), Chezasorb AW-HMDS (16), Chromosorb WHP (16), Chromosorb G, AW (16), Chromosorb W AW DMCS (60-80 mesh) (16), Cromaton N-AW-DMCS (16), Gas Chrom Q (100-200 mesh) (16), Inerton AW (0.16-0.20 mm) (16), DCMS-treated Celite (15), Chromosorb G AW (60-80 mesh) (15), Chromaton N-AWHMDS (14), PTFE-Haloport (14), Chromosorb G (60-80 mesh) (14), Chromaton N AW (0.20-0.25 mm) (14), Celite (80-100 mesh) (14), Chromosorb W AW (0.20-0.25 mm) (14), CHromaton N-AW (13), Diatomite C (100-120 mesh) (13), Chromosorb W (8-0-100 mesh) (12), Sterchamol (12), Gas-Chrom P HMDS (60-80 mesh) (12), Diatoport (80-100 mesh) (12), Inerton N (80-100 mesh) (12), Anakrom ABS (12), Inerton N AW (1), NaCl (2), and steel powder (3) (11), Gas-Chrom Q (800-120 mesh) (11), Silanized white support (80-100 mesh) (11), Anachrom ABS (35 50-mesh) (11), Chromaton N AW (0.25-0.315 mm) (11), Chromosorb W HMDS (100-120 mesh) (10), Chromatron N-AW (10), N_AW_HMDS (10), DMCS-treated Chromosorb G (10), GAs-Chrom Q (100-120 mesh) (9), GAS Chrom P (9), Chromosorb WAW (8), Chromosorn W (80-100 mesh) (8), Chromosorb P HMDS (8), Gas Chrom P AW DMCS (8), Chromatron N-AW-DMCS (8), Chromosorb W-HP (80-100 mesh) (7), Chromaton N Super (0,125-0,16 mm) (7), Dinokhrom P (6), GasChrom P (6), Chrom W-AWDM-CS (5), Silanized support (not indicated) (5), Chromosorb W A/W DMCS (5), Porapak Q (5), Chromaton N Super (0.16-0.20 mm) (5), Chromosrb G (4), Chromaton N AW HMDS (4), Chromosorb W (HP) (4), Gas-Chrom P (4), Chromosorb (80-100 mesh) (3), Chromororb W (3), Chromosorb P, silanized + 1 % Na caproate (60-80 mesh) (3), Supelcoport (60/80 mesh) (2), Chromosorb W-DMCS (2), Fluoropack 80 (1), Chromosorb Q (100-120 mesh) (1)
    • Phase Thickness:
      0.25 um (186379), [unspecified] (136368), 0.5 um (11858), 1 um (7868), 0.33 um (6806), 0.2 um (3776), 0.50 um (3562), 1.0 um (2974), 0.15 um (2326), 0.52 um (2109), 0.4 um (1836), 0.20 um (1494), 0.17 um (1482), 0.3 um (1196), 1.05 um (1160), 0.1 um (1156), 0.10 um (1096), 0.32 um (964), 0.11 um (899), 0.39 um (877), 1.5 um (875), 1.2 um (810), 0.18 um (641), 0.40 um (622), 3 um (536), 0.22 um (482), 0.12 um (452), 5.0 um (426), 0.35 um (408), 0.9 um (396), 0.30 um (387), 0.13 um (358), 0.45 um (337), 5 um (312), 0.53 um (306), 1.20 um (290), 4 um (248), 0.75 um (245), 0.34 um (214), 0.8 um (209), 0.26 um (181), 1.00 um (178), 0.425 um (152), 10 um (147), 0.08 um (138), 0.43 um (126), 2 um (115), .25 um (114), 1.14 um (112), 0.21 um (102), 0.38 um (91), 0.24 um (88), 0.063 um (84), 2.5 um (81), 0.27 um (78), 0.42 um (68), 2.65 um (65), 1.39 um (54), 0.06 um (51), 0.29 um (49), 1.3 um (45), 1.33 um (43), 0.325 um (39), 0.80 um (36), 0.215 um (34), 0.88 um (34), 5.2 um (31), 0.125 um (30), 2.4 um (28), 1.25 um (27), 4.0 um (25), 0.54 um (25), 0.19 um (24), 0.241 um (23), 2.0 um (22), 25 um (22), 0.14 um (21), 0.28 um (20), 0.16 um (19), 1.1 um (16), 0.23 um (15), 0.96 um (13), 1.13 um (12), 2.78 um (10), 0.31 um (8), 0.48 um (7), 0.156 um (6), 33 um (5), 0.305 um (4), 00.13 um (3), 0.6 um (3)
    • Carrier Gas:
      [unspecified] (126376), N2 (44541), Helium (34851), H2 (15846), Nitrogen (5438), Hydrogen (4464), Ar (971), N2/He (498), He or N2 (425), N2 or H2 (120), Helium or Nitrogen (77), Mixture (68), Nitrogen or Helium (65), Nitrogen or helium (64), Argon (49), not specified (46), H2/N2 (38), CH4 (30), HGelium (23), 30 (20), H2, He (16), N2 or He (16), Hydrogen or helium (He2 wrote in original paper) (15), H2/N2=3/1 (14), 35 (10), 15 (9), SF6 (4)
  • GC Method:
    • Description: Examples:
      [unspecified] (312877), 20C=> 5C/min =>120C=>10C/min =>280C (7221), 50 C to 120 C at 5 C/min; 120 C to 290 C at 12 C/min (3230), Multi-step temperature program; T(initial)=60C; T(final)=270C (3053), 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) (2465), 60C(10min) =>4C/min =>220C(10min) =>1C/min =>240C (969), 60 0C (10 min) ^ 4 K/min -> 220 0C (10 min) ^ 1 K/min -> 240 0C (622), 60C(10min) =>4C/min =>220C (10min) =>1C/min =>240C (555), 35C(8min) =>4C/min =>60C =>6C/min =>160C=>20C/min =>200C(1min) (466), 100C(1min) => 30C/min=> 150C(2min) => 3C/min=> 205C => 10C/min =>260C(29min) (389), ...
    • Program Type: Ramp (248803), Complex (74202), Isothermal (64413), [unspecified] (46)
    • Start Temp:
      60 C (82596), 40 C (38205), 50 C (37269), 100 C (14745), 70 C (14382), 80 C (12891), 35 C (8397), 30 C (6509), 120 C (5321), 150 C (5146), 160 C (4222), 130 C (4044), 45 C (3695), 200 C (3674), 140 C (3235), 180 C (3195), 90 C (2096), 110 C (2006), 65 C (1952), 75 C (1612), 170 C (1611), 220 C (1204), 240 C (1170), 190 C (1168), 20 C (1067), 0 C (954), -30 C (818), 86 C (796), 210 C (591), 95 C (578), 175 C (545), 250 C (497), 25 C (428), 280 C (427), 230 C (419), 125 C (395), 260 C (360), 67 C (319), 27 C (300), 32 C (267), 49 C (252), 115 C (237), 270 C (233), 55 C (215), 145 C (215), 165 C (202), 96 C (180), -50 C (179), 245 C (176), 58 C (147), 68 C (139), 179 C (110), 5 C (108), 152 C (103), 185 C (99), 225 C (91), 135 C (90), 95.4 C (75), 236 C (72), 215 C (69), 34 C (67), 300 C (65), -20 C (65), 105 C (63), 57 C (63), 333 C (62), 275 C (61), 64 C (60), -40 C (60), 26 C (59), 207 C (58), 154 C (58), 85 C (53), 147 C (53), 155 C (50), 78 C (50), 255 C (49), 10 C (48), 189 C (47), 205 C (45), 265 C (44), 40-190 C (40), -100 C (40), 180-200 C (39), 235 C (36), 252 C (36), 132 C (35), 333.16 K (33), 393.16 K (33), 82 C (32), 106 C (30), 263 C (28), 251 C (28), 93 C (27), 214 C (26), 74 C (26), 22 C (25), 78.5 C (25), 38 C (24), 250-280 C (24), 61 C (23), 204 C (22), 290 C (22), 463 K (21), 413 C (20), 183 C (20), 373 K (20), 197 C (19), 92 C (19), 42 C (19), 423 K (19), 313 K (17), 323 K (14), 42.5 C (14), 343 C (14), 353 C (14), 383 C (13), 323 C (13), 423 C (13), 403 C (13), 112 C (13), 373 C (13), 363 C (13), 313 C (13), 393 C (13), 52.5 C (12), 104 C (12), 202 C (12), 195 C (12), 398 K (11), 433.15 K (10), 353 K (10), 348 K (10), 343 K (10), 272 C (10), 241 C (10), 363 K (10), 164 C (10), 443.15 K (10), 523 K (10), 333 K (9), 231 C (9), 403 K (9), 383 K (9), 33 C (9), 221 C (8), 48 C (8), 98 C (8), 66 C (8), 143 C (7), 162 C (7), 242 C (7), 79 C (6), 310 C (5), 182 C (5), 99.6 C (5), 299 C (4), 208 C (4), 102 C (4), 271 C (4), 222 C (4), 229 C (4), 94 C (4), 114 C (4), 327 C (4), 285 C (4), 393 K (3), 503 K (3), 100-150 C (3), 184 C (3), 483 K (3), 493 K (3), 473 K (3), 340 C (2), 413 K (2), 320 C (2), 453 K (1), 97 C (1)
    • End Temp:
      [unspecified] (176993), 270 C (30347), 250 C (26005), 220 C (25888), 200 C (19406), 280 C (18307), 240 C (18048), 230 C (14657), 300 C (11411), 260 C (7756), 180 C (4943), 210 C (4405), 290 C (4289), 320 C (3343), 310 C (3025), 225 C (2440), 190 C (1764), 170 C (1709), 275 C (1515), 246 C (1318), 265 C (1213), 195 C (944), 245 C (824), 340 C (714), 285 C (659), 325 C (649), 175 C (554), 295 C (481), 350 C (422), 160 C (376), 150 C (336), 235 C (275), 228 C (214), 130 C (211), 185 C (181), 100 C (161), 330 C (150), 999 C (150), 380 C (148), 255 C (137), 278 C (137), 205 C (121), 370 C (84), 224 C (76), 203 C (75), 215 C (61), 305 C (61), 238 C (46), 120 C (44), 30 C (44), 25 C (42), 165 C (38), 172 C (37), 315 C (33), 243 C (33), 177 C (30), 135 C (26), 259 C (20), 90 C (20), 345 C (14), 513 K (13), 252 C (10), 400 C (9), 75 C (9), 199 C (8), 410 C (4), 533 K (1)
    • Start Time:
      5 min (23968), 2 min (21522), 3 min (10232), 1 min (10068), 10 min (10016), 4 min (7923), 8 min (1783), 6 min (1520), 15 min (1037), 0.5 min (870), 30 min (682), 7 min (626), 0 min (583), 0.1 min (396), 1.5 min (380), 1.45 min (276), 25 min (276), 10 s (190), 20 min (180), .5 min (148), 12 min (145), 22 min (138), 13 min (133), 40 min (129), 4.6 min (97), 60 min (86), 2.5 min (73), 9 min (64), 20.5 min (42), 12.5 min (35), 1.3 min (35), 0.89 min (28), 3.5 min (24), 21 min (23), 2.8 min (22), 0.2 min (15), 16 min (15), 4.08 min (12), 3.194 min (11), 0.801 min (11), 0.8 min (11), 0.395 min (11), 0.4 min (10)
    • End Time:
      [unspecified] (281890), 15 min (30874), 10 min (16304), 20 min (15484), 5 min (10818), 30 min (7782), 60 min (3495), 35 min (2139), 40 min (1933), 2 min (1905), 3 min (1726), 8 min (1232), 25 min (1199), 1 min (1114), 4 min (903), 45 min (775), 28 min (687), 90 min (664), 33 min (574), 0 min (559), 7 min (497), 120 min (470), 13 min (464), 12 min (403), 50 min (366), 80 min (334), 22 min (310), 6 min (280), 2.72 min (276), 999 min (205), 9 min (168), 70 min (162), 0.5 min (156), 9.5 min (141), 18 min (136), 29.5 min (134), 14 min (129), 6.5 min (111), 16 min (92), 21 min (87), 100 min (86), 8.5 min (82), 47 min (67), 12.5 min (45), 55 min (42), 75 min (41), 4.5 min (33), 17.5 min (32), 2.75 min (22), 19 min (21), 11.4 min (15)
    • Heat Rate:
      [unspecified] (177081), 3 K/min (44810), 2 K/min (39439), 4 K/min (36002), 15 K/min (26077), 5 K/min (25345), 6 K/min (9868), 10 K/min (8437), 1 K/min (4828), 8 K/min (4105), 7 K/min (1867), 2.5 K/min (1736), 20 K/min (1215), 30 K/min (1010), 1.5 K/min (675), 3.5 K/min (431), 4.3 K/min (358), 8.5 K/min (337), 9 K/min (327), 3.6 K/min (276), 40 K/min (261), 25 K/min (249), 12 K/min (229), 50 K/min (216), 1.8 K/min (201), 5.5 K/min (197), 16 K/min (170), 35 K/min (168), 18 K/min (163), .5 K/min (150), 28 K/min (148), 2.1 K/min (118), 4.6 K/min (105), 6.5 K/min (73), 3.3 K/min (68), 12.5 K/min (50), 0.6 K/min (45), 0.2 K/min (45), 0.8 K/min (45), 2.8 K/min (45), 12.3 K/min (45), 0.4 K/min (45), 2.7 K/min (43), 0.1 K/min (41), 4.5 K/min (39), 1.7 K/min (39), 1.4 K/min (37), 1.3 K/min (34), 5.3 K/min (31), 1.1 K/min (26), 13 K/min (23), 1.0 K/min (17), 3.9 K/min (15), 0.85 K/min (14), 2.2 K/min (12), 14 K/min (12), 7.5 K/min (8), 0.5 K/min (6), 0.9 K/min (4), 0.66 K/min (3)
  • Retention Index Data:
    • Retention Index Type: Normal alkane RI (182711), Linear RI (125410), Kovats RI (73283), Lee RI (6014), Normal alkane RI value specified by scale definition (40), Lee RI value specified by scale definition (5), [unspecified] (1),
    • Retention Index: Example: 514
  • Compound Identification:
    • Name: Example: Limonene
    • Formula: Example: C10H16
    • Synonyms: Example: Cyclohexene, 1-methyl-4-(1-methylethenyl)-
    • ID: Example: 58017
    • CAS Number: Example: 138863
    • NIST Number: Example: 2079298 (e.g. XMGQYMWWDOXHJM-UHFFFAOYSA-N), ID (e.g. 33687), CAS Number (e.g. 138-86-3), and NIST NIST Number (e.g. 79639).
  • Spectrum Present: Yes (326903), [unspecified] (60561),
  • Citation/Authors: Examples:
    Wurst, M.; Churacek, J., Analyse von organosiliciumverbindungen. VI. Retentionsindices der organosiliciumverbindungen bie der gaschromatographie, Collect. Czech. Chem. Commun., 36, 1971, 3497-3506. (100), Osek, J.; Oszczapowicz, J.; Drzewinski, W., Prediction of Retention Indices of N1,N1-Dialkylformamidines on a Non-Polar Column, J. Chromatogr., 351, 1986, 177-182. (100), Demirci, B.; Demirci, F.; Donmez, A.A.; Franz, G.; Paper, D.H.; Baser, K.H.C., Effects of Salvia essential oils on the chorioallantoic membrane (CAM) assay, Pharm. Biol., 43(8), 2005, 666-671. (100), Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 17, 2002, 401-403. (99), Noudogbessi, J.-P.; Yedomonhan, P.; Sohounhloue, D.C.K.; Chalchat, J.-C.; Figueredo, G., Chemical composition of essential oil of syzygium guineense (Willd.) DC. var. guineense (Myrtaceae) from Benin, Rec. Nat. Prod., , 2008, 33-38. (99), Naikwadi, K.P.; Charbonneau, G.M.; Karasek, F.W.; Clement, R.E., Separation and Identification of Organic Compounds in Air Particulate Extracts by High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry, J. Chromatogr., 398, 1987, 227-237. (99), Baser, K.H.C.; Ozek, T.; Demirci, B.; Duman, H., Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey, Flavour Fragr. J., 15, 2000, 45-46. (99), Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami, Essential oil constituents of Piper cubeba L. fils. from Indonesia, J. Essent. Oil Res., 19(1), 2007, 14-17. (99), Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H., Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar, Flavour Fragr. J., 14, 1999, 245-250. (99), Kosyukova, L.V.; Khorguani, T.V., Retention indices of diterpenes isolated from resins of coniferous trees, Zh. Anal. Khim., 44(9), 1989, 1309-1313, In original 1622-1626. (99),

Differences in Search Software From the Full NIST Version

The full NIST MS library contains everything in the NIST GC library (#841010GC) in terms of data, but there are some differences in the search software. The NIST GC search software is a bit more streamlined for just doing GC only lookups, as it omits the MS stuff and also supports a full "retention index search". Screenshots of the NIST GC software are above.

Some important points:

  • Searching compounds by GC retention index is only in the NIST GC software.
  • The full NIST MS software does display GC retention indices for matching compounds but doesn’t provide a function to search by retention index like the NIST GC software. The NIST MS software (as of version 2014) does have a new option to utilize the GC retention index associated with a mass spectrum being library searched when ranking spectral matches (seen here), but this requires having a mass spectra and doing a spectrum similarity search.
  • Unlike the NIST MS software, the NIST GC software does not communicate at all with your GC/MS data system (e.g. Agilent ChemStation/MassHunter/Thermo Xcalibur). It doesn't need to. It's completely stand-alone.

If you have both GC/MS and GC (without MS) instruments, you might consider the full NIST MS Library for the GC/MS and only #841010GC for the GC (without MS).

Related product: See also the NIST MS Database if you need a library containing both GC and MS information (not just GC).

Popular Items also Purchased
  • Molybdenum Wire and RibbonMolybdenum Wire and Ribbon
    Molybdenum wire is used in a broad range of applications in many industries. Mandrels for making tungsten filaments along with leads, filament supports, and seals are among a few.
  • Tungsten Wire and Ribbon - Filament Wire and Heater MaterialTungsten Wire and Ribbon - Filament Wire and Heater Material
    Tungsten is practically the only material used for electron emitters. The advantage of tungsten is its extremely low vapor pressure even at high temperatures.
  • Constantan Filament & Heater MaterialConstantan Filament & Heater Material
    Constantan is a copper/nickel alloy used in the production of thermocouples and thermocouple extension wires as well as precision resistors and low temperature resistance heating applications.