ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009283
RECORD_TITLE: BENZALDEHYDE BENZYL ETHYL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZALDEHYDE BENZYL ETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₈O₂
CH$EXACT_MASS: 242.13068
CH$SMILES: CCOC(OCc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H18O2/c1-2-17-16(15-11-7-4-8-12-15)18-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
CH$LINK: INCHIKEY PNNHDYOYZSRBLH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40773706

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000f-9500000000-82830e1aedb8e6aa464f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 2.7 27
  29 6.5 65
  39 4.2 42
  41 0.15 2
  50 2.1 21
  51 12.3 123
  52 2.9 29
  63 0.26 3
  64 1.3 13
  65 12.8 128
  77 26.5 265
  78 0.4 4
  79 27.8 278
  80 1.7 17
  89 2.7 27
  90 0.23 2
  91 99.99 999
  92 15.1 151
  105 11.7 117
  106 0.17 2
  107 34.9 349
  108 2 20
  135 63.7 637
  136 1.8 18
  137 1.5 15
  151 4 40
  167 1.5 15
  196 0.22 2
  197 6.2 62
//