MassBank Record: KO002418

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L-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: KO002418
RECORD_TITLE: L-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
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 10 V

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

PK$SPLASH: splash10-0udi-5900000000-10bf801074f410f1316f
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  36.1 202970.0 6.0
  39.8 79208.0 2.0
  50.0 2118810.0 66.0
  58.1 1.50693E7 470.0
  71.7 64356.5 2.0
  72.4 24752.5 1.0
  75.7 39604.0 1.0
  86.1 490100.0 15.0
  87.3 628714.0 20.0
  104.0 3.20297E7 999.0
//