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MassBank Record: KO002228

D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002228
RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 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

CH$NAME: D-2-Aminobutyrate
CH$NAME: (R)-2-Aminobutanoic acid
CH$NAME: D-2-Aminobutanoic acid
CH$NAME: D-2-Aminobutyric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H9NO2
CH$EXACT_MASS: 103.06333
CH$SMILES: CCC(N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
CH$LINK: CAS 2623-91-8
CH$LINK: CHEBI 28797
CH$LINK: HMDB HMDB00650
CH$LINK: KEGG C02261
CH$LINK: LIPIDMAPS LMFA01100043
CH$LINK: NIKKAJI J1.815E
CH$LINK: PUBCHEM SID:5323
CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 104
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-4900000000-8ff7d03a0770e04e7c91
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  35.800 64356.5 2
  39.500 14851.5 1
  46.000 79208.0 3
  50.000 1039605.0 33
  58.100 13574271.0 429
  68.200 49505.0 2
  69.000 39604.0 1
  70.800 39604.0 1
  71.800 34653.5 1
  85.900 64356.5 2
  87.000 514852.0 16
  104.000 31628744.5 999
//

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