MassBank Record: PT109860

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(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid, beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QTOF; MS2
Mass Spectrum
Chemical Structure
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ACCESSION: PT109860
RECORD_TITLE: (2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid, beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-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$NAME: (2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid CH$NAME: beta-Alanyl-3-methyl-L-histidine CH$NAME: L-Anserine nitrate salt CH$NAME: beta-Ala-3-Me-His CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine CH$FORMULA: C10H16N4O3 CH$EXACT_MASS: 240.263 CH$SMILES: CN1C=NC=C1CC(C(=O)O)NC(=O)CCN CH$IUPAC: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17) CH$LINK: CAS 584-85-0 CH$LINK: INCHIKEY MYYIAHXIVFADCU-UHFFFAOYSA-N
AC$INSTRUMENT: Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$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$FOCUSED_ION: PRECURSOR_M/Z 241.13003
PK$SPLASH: splash10-052g-3950000000-656f64d2f4533d03073e PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 95.0617 273.8 231 96.0696 500.0 421 97.0777 146.7 124 109.0776 1141.0 961 126.1046 353.3 298 153.0686 222.1 187 170.0946 481.6 406 224.1054 107.4 90 241.13 1186.0 999 //