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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)

ACCESSION: MT000144
RECORD_TITLE: 2-Aminobutyric acid; LC-ESI-IT; MS2; m/z: 104.1; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, 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
//

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