ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010801
RECORD_TITLE: 4,4'-ISOPROPYLIDENEDIPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 4,4'-ISOPROPYLIDENEDIPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₆O₂
CH$EXACT_MASS: 228.11503
CH$SMILES: Oc(c2)ccc(c2)C(C)(C)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
CH$LINK: INCHIKEY IISBACLAFKSPIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020182

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-03di-2290000000-5a53b16778a578ff5d0d
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41 2.69 27
  51 1.49 15
  55 1.72 17
  63 1.58 16
  65 3.99 40
  76 1.38 14
  77 2.73 27
  82 1.07 11
  84 1.02 10
  90 2.01 20
  91 6.74 67
  94 1.13 11
  95 1.32 13
  97 1.29 13
  99 7.58 76
  100 1.04 10
  106 3.78 38
  107 3.86 39
  114 2.38 24
  115 1.51 15
  119 17.06 171
  120 2.58 26
  135 4.77 48
  152 1.15 12
  165 1.67 17
  169 1.52 15
  197 1.84 18
  198 1.38 14
  212 1.96 20
  213 99.99 999
  214 15.85 159
  215 1.61 16
  228 28.87 289
  229 4.91 49
//