MassBank Record: KO000453



 Chlorzoxazone; 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: KO000453
RECORD_TITLE: Chlorzoxazone; 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 C042

CH$NAME: Chlorzoxazone CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H4ClNO2 CH$EXACT_MASS: 168.99306 CH$SMILES: O=C(O1)Nc(c2)c(ccc(Cl)2)1 CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) CH$LINK: CAS 95-25-0 CH$LINK: KEGG C07931 CH$LINK: NIKKAJI J3.950K CH$LINK: PUBCHEM SID:10133
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 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00lr-0900000000-004a71f655e522e841de PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 35.200 2900993.0 16 42.200 391089.5 2 50.200 89109.0 1 62.700 34653.5 1 76.100 11163377.5 61 77.100 118812.0 1 78.700 69307.0 1 81.000 49505.0 1 88.300 89109.0 1 89.300 480198.5 3 94.800 19802.0 1 104.100 3915845.5 21 105.200 495050.0 3 110.000 64356.5 1 115.300 19802.0 1 124.800 955446.5 5 130.400 49505.0 1 131.900 183312064.5 999 133.000 24752.5 1 166.400 69307.0 1 168.100 120945665.5 659 //