ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000723
RECORD_TITLE: 3-BENZYLIDENE-4-HYDROXYIMINOFLAVAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-BENZYLIDENE-4-HYDROXYIMINOFLAVAN
CH$NAME: 3-BENZYLIDENE-2-PHENYLCHROMAN-4-ONE OXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H17NO2
CH$EXACT_MASS: 327.12593
CH$SMILES: ON=C(c21)C(=Cc(c4)cccc4)C(c(c3)cccc3)Oc(cccc2)1
CH$IUPAC: InChI=1S/C22H17NO2/c24-23-21-18-13-7-8-14-20(18)25-22(17-11-5-2-6-12-17)19(21)15-16-9-3-1-4-10-16/h1-15,22,24H/b19-15+,23-21+
CH$LINK: INCHIKEY QBQHFLJYAZQNHP-ZTKBUNODSA-N
AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-4950000000-7b2ace84922ad0249b82
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  38 1.3 13
  39 8.7 87
  50 7.8 78
  51 1.87 19
  52 3.5 35
  62 1.1 11
  63 10.4 104
  64 0.88 9
  65 12.2 122
  66 4.1 41
  69 1.2 12
  74 0.19 2
  75 2.2 22
  76 8 80
  77 41.1 411
  78 2.3 23
  79 3.3 33
  89 4.6 46
  91 14.8 148
  92 2.39 24
  93 6.5 65
  94 3.8 38
  102 5.2 52
  103 2.3 23
  104 41.1 411
  105 19.6 196
  106 28.2 282
  115 1.48 15
  118 2.2 22
  120 61.2 612
  121 61.2 612
  122 1.39 14
  130 1.5 15
  131 4.2 42
  146 6 60
  147 6.27 63
  148 4.7 47
  149 8 80
  152 1.9 19
  165 0.63 6
  178 5.5 55
  179 1.6 16
  189 3.4 34
  191 1.12 11
  192 5.2 52
  193 4.6 46
  194 1.8 18
  195 0.12 1
  205 1 10
  206 4.7 47
  207 13.4 134
  208 0.45 5
  220 2.4 24
  221 3.2 32
  222 5.6 56
  223 8.09 81
  224 99.99 999
  225 15.8 158
  250 3.3 33
  311 0.6 6
  312 16.3 163
  313 4.1 41
  327 7.2 72
  328 1.1 11
//
