MassBank Record: KO000390



 L-Carnosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000390
RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01q9-9200000000-187ed1e0d0138023d603 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 42.100 113861.5 51 51.800 14851.5 7 58.200 826733.5 369 59.000 178218.0 80 65.800 44554.5 20 67.200 227723.0 102 69.800 54455.5 24 72.300 118812.0 53 74.200 74257.5 33 78.700 49505.0 22 80.000 1688120.5 754 81.100 2237626.0 999 87.100 54455.5 24 93.200 1039605.0 464 97.200 113861.5 51 98.000 14851.5 7 98.800 19802.0 9 108.300 69307.0 31 110.000 2029705.0 906 122.600 19802.0 9 136.900 128713.0 57 153.900 34653.5 15 //