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MassBank Record: JP003101

OXYPHENBUTAZONE 4-HYDROXYPHENYLBUTAZONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
CH$LINK: INCHIKEY HFHZKZSRXITVMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1045291

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
//

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