ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002907
RECORD_TITLE: 3,4,5-TRIMETHOXY BENZALDEHYDE; 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$NAME: 3,4,5-TRIMETHOXY BENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄
CH$EXACT_MASS: 196.07356
CH$SMILES: O=Cc(c1)cc(OC)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
CH$LINK: INCHIKEY OPHQOIGEOHXOGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4058948

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$SPLASH: splash10-000t-4900000000-1127a70e630db20e6749
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  15 10.7 107
  27 2.44 24
  29 5.64 56
  38 6.19 62
  39 22.64 226
  41 2.9 29
  43 2.42 24
  50 7.12 71
  51 10.36 104
  52 2.61 26
  53 8.55 86
  62 2.65 27
  63 3.92 39
  65 11.62 116
  66 7.94 79
  67 7.74 77
  75 2.44 24
  77 10.16 102
  78 3.1 31
  79 7.42 74
  81 3.98 40
  82 5.35 54
  92 2.17 22
  93 21.05 211
  94 3.05 31
  95 15.78 158
  96 2.38 24
  97 3.08 31
  105 2.17 22
  107 3.37 34
  108 2.29 23
  109 3.13 31
  110 22.49 225
  119 2.27 23
  121 4.4 44
  122 2.24 22
  123 5.7 57
  125 31.23 312
  126 3.05 31
  129 2.89 29
  135 6.64 66
  136 7.37 74
  137 3.65 37
  138 6.71 67
  152 2.96 30
  153 9.36 94
  165 2.48 25
  166 3.52 35
  167 5.15 52
  179 2.96 30
  180 2.43 24
  181 77.66 777
  182 8.37 84
  195 10.39 104
  196 99.99 999
  197 17.37 174
  198 2.2 22
//