MassBank Record: MSBNK-Keio_Univ-KO002421
ACCESSION: MSBNK-Keio_Univ-KO002421
RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A240
CH$NAME: (S)-2-Aminobutyrate
CH$NAME: (S)-2-Aminobutanoic acid
CH$NAME: (S)-2-Aminobutanoate
CH$NAME: (S)-2-Aminobutyric acid
CH$NAME: L-2-Aminobutyric acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C4H9NO2
CH$EXACT_MASS: 103.06333
CH$SMILES: CC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
CH$LINK: KEGG
C02356
CH$LINK: PUBCHEM
SID:5403
CH$LINK: INCHIKEY
QWCKQJZIFLGMSD-VKHMYHEASA-N
CH$LINK: COMPTOX
DTXSID10883684
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 104
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052f-9000000000-d7ee22bb360494f5a6ed
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
39.100 49505.0 39
40.900 504951.0 401
43.200 693070.0 551
44.800 133663.5 106
58.100 1257427.0 999
230.300 19802.0 16
//
system version 2.2.6-SNAPSHOT