MassBank Record: JP003101



 OXYPHENBUTAZONE 4-HYDROXYPHENYLBUTAZONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003101
RECORD_TITLE: OXYPHENBUTAZONE 4-HYDROXYPHENYLBUTAZONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: OXYPHENBUTAZONE 4-HYDROXYPHENYLBUTAZONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H20N2O3 CH$EXACT_MASS: 324.14739 CH$SMILES: CCCCC(C(=O)1)C(=O)N(c(c3)ccc(O)c3)N(c(c2)cccc2)1 CH$IUPAC: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9601000000-0e93b2309b6f4ff21792 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 32 11.1 111 39 13.7 137 41 16.9 169 43 0.43 4 51 5.7 57 52 5.1 51 53 1.1 11 55 2.44 24 64 11.1 111 65 17 170 66 2.1 21 77 3.11 31 79 0.1 1 80 0.9 9 91 15.1 151 92 0.49 5 93 99.99 999 94 9.8 98 108 6.7 67 109 7.88 79 119 27.7 277 120 9.1 91 121 6.8 68 135 1.53 15 148 18.4 184 149 10.9 109 162 25 250 163 0.03 0 164 1.3 13 199 34.3 343 200 4.1 41 206 1.41 14 324 21.3 213 326 8.2 82 //