Mass Spectral Library
This page is dedicated to archiving compounds I have encountered in samples during my time in grad school.
Some resources I utilize to identify spectra are: The Lipid Web, NIST Chemistry WebBook, PubChem, & The Biomarker Guide.
Jump to: hydrocarbons, aromatics, fatty acid methyl esters, fatty alcohols, steroids, misc.
Latest update: 4/23/20
Hydrocarbons
n-Alkanes (m/z 57)
hexadecane (C16)
heptadecane (C17)
octadecane (C18)
nonadecane (C19)
icosane (C20)
Isoprenoids
2,6,10,14-tetramethylpentadecane (pristane)
2,6,10,14-tetramethylhexadecane (phytane)
Aromatics
pyrene
Fatty Acid Methyl Esters
Branched-Chain Fatty Acids (BCFA)
13-methyl tetradecanoic acid, methyl ester (C15:0 iso)
12-methyl tetradecanoic acid, methyl ester (C15:0 anteiso)
Saturated Straight-Chain Fatty Acids (m/z 74)
decanoic acid, methyl ester (C10:0)
undecanoic acid, methyl ester (C11:0)
dodecanoic acid, methyl ester (C12:0)
tridecanoic acid, methyl ester (C13:0)
tetradecanoic acid, methyl ester (C14:0)
pentadecanoic acid, methyl ester (C15:0)
hexadecanoic acid, methyl ester (C16:0)
heptadecanoic acid, methyl ester (C17:0)
octadecanoic acid, methyl ester (C18:0)
nonadecanoic acid, methyl ester (C19:0)
eicosanoic acid, methyl ester (C20:0)
heneicosanoic acid, methyl ester (C21:0)
docosanoic acid, methyl ester (C22:0)
tricosanoic acid, methyl ester (C23:0)
tetracosanoic acid, methyl ester (C24:0)
Monoenoic Fatty Acids (m/z 55)
tetradec-9-enoic acid, methyl ester (C14:1ω5)
(C15:1ω5)
hexadec-9-enoic acid, methyl ester (C16:1ω7)
hexadec-7-enoic acid, methyl ester (C16:1ω9)
(C17:1ω7)
octadec-9-enoic acid, methyl ester (E) (C18:1ω9)
octadec-9-enoic acid, methyl ester (Z) (C18:1ω9)
(C20:1ω9/11 co-elution)
docos-13-enoic acid, methyl ester (C22:1ω9)
(C24:1ω9)
Dienoic Fatty Acids (m/z 67)
octadeca-9,12-dienoic acid, methyl ester (C18:2ω6)
(C20:2ω6)
(C22:2ω6)
Trienoic Fatty Acids (m/z 79)
(C18:3ω6)
Fatty Alcohols
n-Alkanols (m/z 75)
1-hexadecanol, TMS (C16)
1-octadecanol, TMS (C18)
Steroids
Sterols (m/z 129)
cholest-5-en-3β-ol (cholesterol), TMS
24-ethyl-cholest-5-en-3β-ol (β-sitosterol), TMS
Stanols (m/z 215)
5α-cholestan-3β-ol (cholestanol), TMS
5β-cholestan-3β-ol (coprostanol), TMS
5β-cholestan-3α-ol (epicoprostanol)
24α-ethyl-5α-cholestan-3β-ol (5α-stigmastanol), TMS
24β-ethyl-5β-cholestan-3α-ol (epi-5β-stigmastanol), TMS
Miscellaneous
phytol, TMS
3α-hydroxy-5β-cholanic acid (lithocholic acid), methyl ester, methyl ester
β-amyrin, TMS
α-amyrin, TMS
11-oxo-α-amyrin, TMS