MassBank Record: KO000387



 L-Carnosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000387
RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0w4i-0930000000-1b9661ab9507003e40b0 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 59.000 396040.0 28 66.800 34653.5 2 81.200 44554.5 3 87.000 113861.5 8 88.300 1153466.5 82 93.000 227723.0 16 97.300 39604.0 3 99.000 44554.5 3 107.100 34653.5 2 110.000 8237632.0 588 127.100 698020.5 50 133.900 44554.5 3 135.700 74257.5 5 137.300 386139.0 28 139.200 54455.5 4 143.200 668317.5 48 145.900 44554.5 3 152.100 103960.5 7 154.200 13985162.5 999 163.000 3306934.0 236 164.200 232673.5 17 165.400 94059.5 7 179.500 242574.5 17 181.100 1014852.5 72 207.300 391089.5 28 208.300 49505.0 4 225.200 11460407.5 819 //