MassBank Record: MT000144



 2-Aminobutyric acid; LC-ESI-IT; MS2; m/z: 104.1; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000144
RECORD_TITLE: 2-Aminobutyric acid; LC-ESI-IT; MS2; m/z: 104.1; [M+H]+
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: 2-Aminobutyric acid CH$NAME: 2-aminobutyrate CH$COMPOUND_CLASS: Natural Product; Fatty Acyls; Fatty Acids and Conjugates; Amino fatty acids CH$FORMULA: C4H9NO2 CH$EXACT_MASS: 103.06333 CH$SMILES: CCC(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CAS 2623-91-8 CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 104.1 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-0a4i-9000000000-ca34c9a1eb5dc18384ff PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 58.1 100.0 999 59.1 0.1 1 75.5 0.1 1 104.1 0.3 3 //