MassBank Record: KO000452



 Chlorzoxazone; 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: KO000452
RECORD_TITLE: Chlorzoxazone; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-c7ee77e191a097d4e0ba PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 35.300 89109.0 1 76.200 158416.0 1 89.000 29703.0 1 104.100 168317.0 1 107.900 9901.0 1 109.800 405941.0 1 114.600 19802.0 1 123.400 74257.5 1 124.800 143564.5 1 130.700 29703.0 1 131.900 65188184.0 103 150.800 19802.0 1 152.900 64356.5 1 165.300 29703.0 1 166.800 316832.0 1 167.600 98811980.0 155 168.000 635267962.0 999 //