MassBank Record: KO002523



 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: KO002523
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 227 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0920000000-7a0b00f22088d4f1520b PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 54.800 34653.5 1 63.000 133663.5 6 72.100 34653.5 1 73.300 183168.5 8 76.500 19802.0 1 83.200 94059.5 4 90.100 133663.5 6 91.700 19802.0 1 95.100 613862.0 26 99.000 19802.0 1 104.900 514852.0 22 106.300 49505.0 2 107.300 103960.5 4 110.200 23702994.0 999 112.200 123762.5 5 112.400 54455.5 2 114.600 14851.5 1 118.300 44554.5 2 120.600 29703.0 1 122.200 2128715.0 90 124.100 44554.5 2 127.200 14851.5 1 129.100 24752.5 1 134.900 89109.0 4 135.800 69307.0 3 138.000 1158417.0 49 145.300 108911.0 5 146.100 826733.5 35 148.400 108911.0 5 152.200 2103962.5 89 153.900 188119.0 8 156.300 16767343.5 707 164.100 4688123.5 198 166.200 128713.0 5 167.300 24752.5 1 171.100 14851.5 1 173.200 99010.0 4 174.100 2891092.0 122 180.200 3297033.0 139 181.200 5415847.0 228 182.400 108911.0 5 192.300 2589111.5 109 195.300 455446.0 19 198.100 1103961.5 47 209.400 1514853.0 64 210.200 11866348.5 500 227.200 4836638.5 204 //