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MassBank Record: PT202760

gamma-Aminobutyryl-L-histidine, 2-(4-aminobutanoylamino)-3-(3H-imidazol-4-yl)propanoic acid, gamma-aminobutyrylhistidine, L-Homocarnosine, GABA-His; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT202760
RECORD_TITLE: gamma-Aminobutyryl-L-histidine, 2-(4-aminobutanoylamino)-3-(3H-imidazol-4-yl)propanoic acid, gamma-aminobutyrylhistidine, L-Homocarnosine, GABA-His; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: gamma-Aminobutyryl-L-histidine
CH$NAME: 2-(4-aminobutanoylamino)-3-(3H-imidazol-4-yl)propanoic acid
CH$NAME: gamma-aminobutyrylhistidine
CH$NAME: L-Homocarnosine
CH$NAME: GABA-His
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Carnosine
CH$FORMULA: C10H16N4O3
CH$EXACT_MASS: 240.263
CH$SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCN
CH$IUPAC: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)
CH$LINK: CAS 3650-73-5
CH$LINK: INCHIKEY CCLQKVKJOGVQLU-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 239.11443

PK$SPLASH: splash10-0iki-0930000000-80b81755ee1a773ed3bb
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  81.0465 115.0 137
  110.0723 838.3 999
  154.0617 638.7 761
  239.1144 598.0 713
//

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