ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008119
RECORD_TITLE: 2,4-DIBENZYLOXYBENZALDEHYDE; 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$NAME: 2,4-DIBENZYLOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H18O3
CH$EXACT_MASS: 318.12559
CH$SMILES: O=Cc(c1)c(OCc(c3)cccc3)cc(OCc(c2)cccc2)c1
CH$IUPAC: InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
CH$LINK: INCHIKEY DMYYTMVFUMDOGC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50365212
AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-0006-9012000000-a0267e69f2dfcf56abdc
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  44 0.04 0
  50 0.26 3
  51 1.03 10
  52 0.37 4
  63 1.56 16
  64 0.74 7
  65 8.81 88
  66 0.52 5
  77 0.53 5
  89 1.47 15
  90 0.79 8
  91 99.99 999
  92 8.77 88
  93 0.42 4
  121 0.38 4
  128 0.27 3
  129 0.27 3
  141 0.44 4
  153 0.43 4
  167 0.36 4
  180 0.49 5
  181 1.66 17
  182 0.34 3
  197 0.29 3
  199 1.08 11
  200 0.29 3
  209 0.25 3
  210 0.6 6
  211 0.32 3
  226 0.52 5
  227 4.25 43
  228 1.08 11
  289 6.41 64
  290 1.51 15
  301 0.3 3
  318 29.82 298
  319 7 70
  320 0.99 10
//
