MassBank Record: MSBNK-Keio_Univ-KO002138
ACCESSION: MSBNK-Keio_Univ-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
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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$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
//
system version 2.2.8-SNAPSHOT