MassBank Record: KO008900

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L-Carnosine; LC-ESI-IT; MS3; m/z: 227/156; [M+H]+

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

ACCESSION: KO008900
RECORD_TITLE: L-Carnosine; LC-ESI-IT; MS3; m/z: 227/156; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C012
COMMENT: [MS2] KO008898

CH$NAME: Carnosine
CH$NAME: Nalpha-(beta-alanyl)-L-histidine
CH$NAME: L-Carnosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14N4O3
CH$EXACT_MASS: 226.106590000000011286829249002039432525634765625
CH$SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN
CH$IUPAC: InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
CH$LINK: CAS 305-84-0
CH$LINK: CHEBI 15727
CH$LINK: COMPTOX DTXSID80879594
CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N
CH$LINK: KEGG C00386
CH$LINK: PUBCHEM 3676

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 227/156
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-03di-0900000000-26d87a92fb3502dacd56
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  83.1 27.77 11
  95.1 123.05 47
  96.2 10.30 4
  110.1 2602.29 999
  111.1 75.13 29
  112.1 7.31 3
  138.0 63.06 24
  138.9 17.62 7
  156.1 16.69 6
  157.0 181.18 70
//