ACCESSION: MSBNK-Keio_Univ-KO002420
RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0a4i-9000000000-7cce1c626271fbc1ff33
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  38.800 19802.0 3
  41.300 529703.5 79
  43.000 455446.0 68
  43.700 74257.5 11
  44.900 84158.5 12
  57.100 19802.0 3
  58.200 6737630.5 999
  70.200 34653.5 5
  86.000 94059.5 14
  87.200 54455.5 8
//