MassBank Record: KO002358



 2-Amino-2-methylbutanoic 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: KO002358
RECORD_TITLE: 2-Amino-2-methylbutanoic 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 A189

CH$NAME: 2-Amino-2-methylbutanoate CH$NAME: 2-Amino-2-methylbutanoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H11NO2 CH$EXACT_MASS: 117.07898 CH$SMILES: CCC(C)(N)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8) CH$LINK: KEGG C03571 CH$LINK: PUBCHEM SID:6363
AC$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$FOCUSED_ION: PRECURSOR_M/Z 118 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0gb9-5900000000-9adac7f75de8f77c1883 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 36.000 316832.0 10 50.300 13009914.0 404 54.900 74257.5 2 59.400 94059.5 3 60.200 24752.5 1 64.300 99010.0 3 68.300 207921.0 6 72.000 15089124.0 469 82.000 519802.5 16 83.100 613862.0 19 84.800 39604.0 1 86.100 163366.5 5 99.900 410891.5 13 101.100 14465361.0 449 112.700 14851.5 1 118.100 32173299.5 999 136.300 14851.5 1 //