MassBank Record: KO002524



 L-Carnosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002524
RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 227 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-65594ec260ce96a64d33 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 55.000 74257.5 2 63.200 79208.0 2 71.700 173267.5 4 73.200 123762.5 3 81.000 79208.0 2 81.800 59406.0 1 83.400 757426.5 17 91.900 29703.0 1 93.100 460396.5 10 94.400 29703.0 1 95.000 3029706.0 67 99.200 39604.0 1 105.200 74257.5 2 108.700 34653.5 1 110.100 45094104.5 999 111.200 123762.5 3 111.500 84158.5 2 117.000 158416.0 4 117.900 594060.0 13 121.000 59406.0 1 122.300 4653470.0 103 124.000 108911.0 2 128.200 24752.5 1 134.000 54455.5 1 135.900 425743.0 9 138.100 79208.0 2 139.300 64356.5 1 145.000 277228.0 6 146.000 2049507.0 45 147.900 24752.5 1 152.200 1039605.0 23 156.200 6301986.5 140 164.300 3346538.0 74 167.500 34653.5 1 174.200 381188.5 8 180.300 69307.0 2 181.100 658416.5 15 192.200 138614.0 3 195.100 59406.0 1 210.100 331683.5 7 227.100 39604.0 1 //