MassBank Record: KO002138



 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) \n

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: 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. 36.000 752476.0 26 38.600 24752.5 1 46.000 84158.5 3 50.200 5950501.0 206 54.000 39604.0 1 54.700 19802.0 1 58.100 5851491.0 203 69.100 89109.0 3 69.700 9901.0 1 71.800 34653.5 1 87.300 301980.5 10 104.000 28802009.0 999 //