MassBank Record: KO000386



 L-Carnosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000386
RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C012

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: 226.10659 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$LINK: KEGG C00386 CH$LINK: NIKKAJI J5.496H CH$LINK: PUBCHEM SID:3676
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0090000000-8eb3d9ac409912a61228 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 59.300 168317.0 3 88.100 24752.5 1 109.900 59406.0 1 128.800 9901.0 1 140.800 49505.0 1 142.100 24752.5 1 143.300 168317.0 3 154.000 524753.0 10 163.100 123762.5 2 165.100 212871.5 4 179.000 232673.5 4 181.200 227723.0 4 207.200 133663.5 3 225.200 51901042.0 999 //