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MassBank Record: KO002139

2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002139
RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:20 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 A048

CH$NAME: a-Aminoisobutyrate
CH$NAME: 2-Amino-2-methylpropanoate
CH$NAME: 2-Aminoisobutyric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H9NO2
CH$EXACT_MASS: 103.06333
CH$SMILES: OC(=O)C(C)(C)N
CH$IUPAC: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
CH$LINK: CAS 62-57-7
CH$LINK: KEGG C03665
CH$LINK: NIKKAJI J38.908K
CH$LINK: PUBCHEM SID:6443
CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0058772

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 20 V

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

PK$SPLASH: splash10-0a4i-9000000000-23a671f383f99bc465c8
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  45.100 49505.0 5
  58.300 10425753.0 999
  59.100 311881.5 30
  69.000 79208.0 8
  86.300 143564.5 14
  87.200 217822.0 21
  104.300 311881.5 30
//

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