ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005537
RECORD_TITLE: 1-PHENYL-1-(5-METHYL-3-PHENYL-2-FURYL)ACETONE (3,3,3-D3); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1-PHENYL-1-(5-METHYL-3-PHENYL-2-FURYL)ACETONE (3,3,3-D3)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H18O2
CH$EXACT_MASS: 290.13068
CH$SMILES: [2H]C([2H])([2H])C(=O)C(c(c3)cccc3)c(o2)c(cc(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C20H18O2/c1-14-13-18(16-9-5-3-6-10-16)20(22-14)19(15(2)21)17-11-7-4-8-12-17/h3-13,19H,1-2H3/i2D3
CH$LINK: INCHIKEY PYTUHOXYDQJXEZ-BMSJAHLVSA-N
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9570000000-b2042361c796948d6b58
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  39 6 60
  40 2.9 29
  41 4.4 44
  43 35.6 356
  44 2.4 24
  45 4.4 44
  46 8 80
  47 9.1 91
  49 5.3 53
  50 3.6 36
  51 8.2 82
  52 2.2 22
  55 4 40
  56 1.8 18
  57 2.9 29
  62 1.6 16
  63 3.8 38
  64 1.8 18
  65 4 40
  66 3.6 36
  67 2 20
  69 2 20
  71 2 20
  74 1.8 18
  75 1.8 18
  76 3.1 31
  77 15.8 158
  78 2.7 27
  79 1.6 16
  81 2 20
  82 4.4 44
  83 2 20
  84 21.3 213
  85 1.6 16
  86 14.2 142
  88 3.3 33
  89 3.3 33
  90 2.2 22
  91 4.2 42
  92 1.6 16
  93 1.6 16
  94 7.3 73
  95 1.8 18
  97 1.8 18
  101 2.2 22
  102 8.4 84
  103 2.7 27
  105 14.7 147
  106 3.6 36
  107 1.8 18
  108 1.8 18
  115 4.4 44
  116 2 20
  117 14.2 142
  119 15.1 151
  121 4.9 49
  123 1.8 18
  126 2.7 27
  127 2.9 29
  128 3.1 31
  129 1.8 18
  140 1.6 16
  141 3.8 38
  149 1.8 18
  150 1.1 11
  151 1.8 18
  152 2.2 22
  161 1.3 13
  163 1.3 13
  165 1.8 18
  168 1.3 13
  169 3.8 38
  170 1.3 13
  176 1.3 13
  177 1.3 13
  178 2.2 22
  179 1.8 18
  189 2 20
  190 1.3 13
  190.5 1.3 13
  191 1.3 13
  200 2 20
  201 2 20
  202 10.4 104
  203 8.2 82
  204 4.9 49
  205 2.4 24
  209 2 20
  215 2 20
  216 0.9 9
  217 0.9 9
  218 0.9 9
  219 0.9 9
  228 1.6 16
  229 1.6 16
  230 0.9 9
  231 1.8 18
  232 1.1 11
  245 1.6 16
  246 1.8 18
  247 99.99 999
  248 26.7 267
  249 4 40
  250 1.1 11
  262 2.2 22
  292 2 20
  293 5.3 53
  294 1.6 16
//
