MassBank Record: KO002525



 L-Carnosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002525
RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 227 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-3900000000-7afe49db782803a3ffa5 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 43.000 24752.5 1 44.400 19802.0 1 55.100 292079.5 10 56.500 34653.5 1 63.000 29703.0 1 68.100 381188.5 12 69.300 34653.5 1 71.900 163366.5 5 73.200 49505.0 2 81.100 306931.0 10 82.200 400990.5 13 83.200 3767330.5 123 92.100 94059.5 3 93.000 2648517.5 86 95.000 4366341.0 142 103.800 9901.0 1 107.200 44554.5 1 109.000 89109.0 3 110.100 30703001.0 999 111.300 118812.0 4 114.800 54455.5 2 116.300 148515.0 5 116.900 212871.5 7 118.000 1099011.0 36 122.200 1579209.5 51 126.900 14851.5 1 129.400 24752.5 1 136.000 118812.0 4 138.500 14851.5 1 144.900 49505.0 2 146.200 633664.0 21 156.300 410891.5 13 164.100 158416.0 5 173.000 9901.0 1 180.800 14851.5 1 194.100 9901.0 1 //