MassBank Record: KO002522



 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: KO002522
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 227 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0090000000-441d34f3fa359acb868e PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 73.000 321782.5 3 76.600 19802.0 1 80.600 29703.0 1 82.900 39604.0 1 84.900 29703.0 1 90.200 34653.5 1 90.700 14851.5 1 100.600 24752.5 1 104.900 722773.0 6 106.800 227723.0 2 110.100 1341585.5 11 118.300 14851.5 1 121.200 84158.5 1 122.300 39604.0 1 123.100 138614.0 1 135.200 69307.0 1 137.200 89109.0 1 138.000 767327.5 6 145.300 64356.5 1 152.000 133663.5 1 154.000 54455.5 1 156.100 1673269.0 13 162.800 74257.5 1 164.300 153465.5 1 165.500 108911.0 1 166.200 34653.5 1 167.300 351485.5 3 169.000 24752.5 1 174.000 905941.5 7 180.200 836634.5 7 181.000 722773.0 6 182.200 64356.5 1 191.300 257426.0 2 192.200 4361390.5 35 195.200 1975249.5 16 198.200 212871.5 2 209.300 3599013.5 29 210.200 12564369.0 100 219.400 39604.0 1 227.200 125168442.0 999 //