ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002941
RECORD_TITLE: ACETHYL VANILLIN; 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$NAME: ACETHYL VANILLIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: O=Cc(c1)cc(OC)c(OC(C)=O)c1
CH$IUPAC: InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
CH$LINK: INCHIKEY PZSJOBKRSVRODF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061256

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-4900000000-fc3c3e1357a38b795f2c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 8.31 83
  39 3.35 34
  41 2.83 28
  43 46.94 469
  50 3.42 34
  51 8.81 88
  52 5.82 58
  53 3.64 36
  63 3.12 31
  65 4.14 41
  77 2.6 26
  79 6.17 62
  80 2.64 26
  81 4.9 49
  95 2.65 27
  109 7.26 73
  123 6.9 69
  137 3.96 40
  150 4.92 49
  151 61.18 612
  152 99.99 999
  153 9.05 91
  194 7.19 72
//