MassBank Record: KO002782



 Diclofenac; 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: KO002782
RECORD_TITLE: Diclofenac; 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 D128

CH$NAME: Diclofenac CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H11Cl2NO2 CH$EXACT_MASS: 295.01668 CH$SMILES: OC(=O)Cc(c2)c(ccc2)Nc(c(Cl)1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) CH$LINK: CAS 15307-86-5 CH$LINK: KEGG C01690 CH$LINK: NIKKAJI J8.557J CH$LINK: PUBCHEM SID:4831
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 296 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fr2-0690000000-0ad1d80cd74eb2ccbdb0 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 57.100 163366.5 23 71.800 9901.0 1 73.900 29703.0 4 79.600 14851.5 2 87.000 89109.0 12 101.100 19802.0 3 103.300 9901.0 1 115.400 39604.0 6 117.200 74257.5 10 125.900 24752.5 3 131.000 94059.5 13 134.900 79208.0 11 142.100 24752.5 3 144.200 34653.5 5 149.000 7163373.5 999 153.300 44554.5 6 163.100 84158.5 12 164.100 74257.5 10 167.000 89109.0 12 170.300 876238.5 122 175.300 24752.5 3 179.900 74257.5 10 181.100 435644.0 61 187.100 14851.5 2 189.300 29703.0 4 192.200 400990.5 56 199.400 163366.5 23 203.100 14851.5 2 205.200 1495051.0 208 214.100 371287.5 52 215.100 4975252.5 694 219.000 24752.5 3 223.400 44554.5 6 227.100 39604.0 6 236.300 34653.5 5 250.200 5603966.0 782 261.400 29703.0 4 278.400 1039605.0 145 279.500 74257.5 10 296.300 514852.0 72 //