MassBank Record: KO002422

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L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002422
RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:50 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$LINK: COMPTOX DTXSID10883684
CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N
CH$LINK: KEGG C02356
CH$LINK: PUBCHEM SID:5403

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 50 V

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

PK$SPLASH: splash10-0006-9000000000-e3892ebe321e35491da7
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  39.0 64356.5 197.0
  40.9 103960.0 318.0
  42.3 138614.0 424.0
  43.2 326733.0 999.0
  45.1 49505.0 151.0
//