MassBank Record: JP000723



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

ACCESSION: 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$IUPAC: InChI=1S/C22H17NO2/c24-23-21-18-13-7-8-14-20(18)25-22(17-11-5-2-6-12-17)19(21)15-16-9-3-1-4-10-16/h1-15,22,24H/b19-15+,23-21+
AC$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 //