MassBank Record: KO000388



 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: KO000388
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-1900000000-72b6ca59fd508325bdc2 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 58.000 292079.5 16 59.200 282178.5 16 60.400 24752.5 1 66.700 54455.5 3 67.200 153465.5 9 70.200 84158.5 5 71.900 74257.5 4 74.000 49505.0 3 79.700 143564.5 8 81.300 1099011.0 62 87.200 420792.5 24 88.300 425743.0 24 93.000 1282179.5 72 97.200 49505.0 3 99.000 39604.0 2 106.900 84158.5 5 108.100 326733.0 18 110.100 17782196.0 999 118.300 69307.0 4 119.000 64356.5 4 127.000 1232674.5 69 133.800 99010.0 6 136.200 519802.5 29 137.300 1549506.5 87 143.200 262376.5 15 145.200 29703.0 2 146.200 143564.5 8 148.800 49505.0 3 154.100 6891096.0 387 163.100 331683.5 19 164.000 183168.5 10 179.100 108911.0 6 181.400 94059.5 5 225.100 173267.5 10 //