MassBank Record: KO000389



 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: KO000389
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-6900000000-2a23069b75992b4bfcac PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 42.000 44554.5 5 58.300 811882.0 84 59.200 346535.0 36 66.900 173267.5 18 69.900 183168.5 19 71.800 178218.0 18 74.100 168317.0 17 80.000 1212872.5 126 81.100 2920795.0 303 84.200 24752.5 3 86.800 207921.0 22 88.200 113861.5 12 93.100 1881190.0 195 97.300 198020.0 21 99.100 64356.5 7 107.000 99010.0 10 108.100 158416.0 16 109.100 138614.0 14 110.200 9643574.0 999 118.000 64356.5 7 118.600 34653.5 4 119.300 14851.5 2 121.700 24752.5 3 127.200 430693.5 45 134.300 44554.5 5 135.400 29703.0 3 136.000 237624.0 25 136.800 841585.0 87 149.300 49505.0 5 153.800 648515.5 67 //