MassBank Record: KO002138

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2-Aminoisobutyric 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: KO002138
RECORD_TITLE: 2-Aminoisobutyric 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 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: COMPTOX DTXSID0058772
CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N
CH$LINK: KEGG C03665
CH$LINK: NIKKAJI J38.908K
CH$LINK: PUBCHEM SID:6443

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$SPLASH: splash10-0udi-4900000000-8b7badd6f8457356fe62
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  36.0 752476.0 26.0
  38.6 24752.5 1.0
  46.0 84158.5 3.0
  50.2 5950500.0 206.0
  54.0 39604.0 1.0
  54.7 19802.0 1.0
  58.1 5851490.0 203.0
  69.1 89109.0 3.0
  69.7 9901.0 1.0
  71.8 34653.5 1.0
  87.3 301980.0 10.0
  104.0 2.8802E7 999.0
//