MassBank Record: KO002526



 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: KO002526
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 227 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03e9-9600000000-3391a9f020ebc669c1fa PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 30.200 49505.0 7 55.300 247525.0 33 55.900 173267.5 23 65.700 34653.5 5 66.900 44554.5 6 68.000 688119.5 91 68.900 84158.5 11 71.700 14851.5 2 77.300 19802.0 3 81.100 495050.0 66 82.300 772278.0 102 83.100 5123767.5 679 91.700 108911.0 14 93.200 2549507.5 338 95.100 1896041.5 251 105.300 29703.0 4 107.500 19802.0 3 109.400 69307.0 9 110.200 7534661.0 999 115.300 39604.0 5 116.300 188119.0 25 117.500 49505.0 7 118.100 297030.0 39 122.100 188119.0 25 146.300 44554.5 6 //