ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006384
RECORD_TITLE: ACETYL VANILLIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ACETYL VANILLIN
CH$NAME: 4-FORMYL-2-METHOXYPHENYL ACETATE
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0udi-9700000000-5aed2175866686c2f630
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  14 2.57 26
  15 13.76 138
  17 4.21 42
  18 11.63 116
  26 1.98 20
  27 2.64 26
  28 3.32 33
  29 4.41 44
  37 1.37 14
  38 2.56 26
  39 7.06 71
  41 4.74 47
  42 3.97 40
  43 84.73 847
  44 1.9 19
  49 1.16 12
  50 7.64 76
  51 18.71 187
  52 13.26 133
  53 8.87 89
  54 1.19 12
  55 2.29 23
  61 1.3 13
  62 4.86 49
  63 8 80
  64 2.11 21
  65 9.09 91
  66 1.77 18
  67 2.44 24
  77 5.13 51
  79 13.33 133
  80 5.5 55
  81 11.91 119
  91 1.6 16
  92 2.03 20
  93 1.48 15
  95 5.55 56
  105 1.59 16
  107 1.19 12
  108 3.06 31
  109 13.31 133
  110 1.16 12
  119 1.94 19
  120 1.04 10
  121 1.6 16
  122 1.6 16
  123 7.02 70
  124 2.09 21
  137 3.7 37
  150 1.9 19
  151 81.1 811
  152 99.99 999
  153 7.18 72
  194 4.77 48
//