ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001508
RECORD_TITLE: DIBENZYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIBENZYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₄O
CH$EXACT_MASS: 198.10447
CH$SMILES: c(c2)ccc(c2)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
CH$LINK: INCHIKEY MHDVGSVTJDSBDK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025819

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-5ea065fac34ad8205a2c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.7 17
  29 1 10
  39 7.56 76
  41 2.65 27
  44 1.52 15
  50 2.44 24
  51 7.88 79
  52 2.21 22
  53 1.12 11
  63 3.32 33
  64 1.25 13
  65 15.74 157
  66 1.17 12
  77 11.86 119
  78 2.12 21
  79 16.48 165
  80 1.28 13
  89 3.05 31
  90 2.16 22
  91 72.21 722
  92 99.99 999
  93 7.54 75
  105 2.18 22
  107 14.69 147
  108 1.49 15
  120 1.21 12
  167 1.04 10
//