This database is the product of an ongoing comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.
(NIST SRD 1A is available ONLY from distributors)
Contents of the NIST 20 Mass Spectral and Retention Index Libraries | ||
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Library Description | Library File Name | Library Contents |
NIST/EPA/NIH Mass Spectral Library (EI) | ||
Main EI MS Library | mainlib | Spectra for chemical compounds |
Replicate EI MS Library | replib | >43,774 replicate spectra |
Tandem (MS/MS)Library | ||
HRAM MS/MS Library - small molecules |
hr_msms_nist> | 1,026,712 spectra of 94,472 precursor ions from 27,840 chemical compounds |
Low Resolution MS/MS Library - small molecules |
lr_msms_nist | 215,649 spectra of 163,512 precursor ions from 28,559 chemical compounds |
APCI High Resolution MS/MS Library - small molecules |
apci_msms_nist | 3,555 spectra of 605 precursor ions from 246 extractable and leachable compounds |
MS/MS Library - biological peptides |
biopep_msms_nist | 90,244 spectra of 6,803 precursor ions from 1,904 peptides |
Total: 1,320,389 spectra of 185,608 precursor ions from 30,999 chemical compounds | ||
GC Method / Retention Index Library | ||
Retention Index Library |
nist_ri |
447,285 RI values for 139,963 compounds; 112,253 compounds in the Main Library have retention index data. |
Evaluation and Quality Control
For more information, please visit http://chemdata.nist.gov.
The scientific contact for the database is:
Stephen E. Stein
Mass Spectrometry Data Center
National Institute of Standards and Technology
Gaithersburg, MD 20899-8362
(301) 975-2505
massspec [at] nist.gov
Keywords: analysis; chemical analysis; chemical databases; chemical structure; chemistry; mass spectra; mass spectrometry.