ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010725
RECORD_TITLE: 2,3,4-TRIMETHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 2,3,4-TRIMETHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄
CH$EXACT_MASS: 196.07356
CH$SMILES: O=Cc(c1)c(OC)c(OC)c(OC)c1
CH$IUPAC: InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
CH$LINK: COMPTOX DTXSID6062179
CH$LINK: INCHIKEY UCTUXUGXIFRVGX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:75006

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-0900000000-d7b3e0a02420cd962ab0
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  65 5.24 52
  67 2.47 25
  76 1.09 11
  77 3.12 31
  78 1.94 19
  79 2.59 26
  81 1.39 14
  82 3.67 37
  90 1.6 16
  91 1.64 16
  92 1.39 14
  93 6.02 60
  94 1.29 13
  95 5.84 58
  96 1.11 11
  97 2.75 28
  104 2.58 26
  105 4.45 45
  106 4.26 43
  107 5.14 51
  108 2.88 29
  109 2.39 24
  110 7.08 71
  118 2.02 20
  119 2.59 26
  120 9.05 91
  121 3.5 35
  122 2.5 25
  123 7.76 78
  124 1.44 14
  125 4.93 49
  132 1.07 11
  133 2.08 21
  134 4.24 42
  135 17.04 170
  136 6.64 66
  137 5.64 56
  138 4.69 47
  139 5.48 55
  147 1.11 11
  148 6.03 60
  149 4.64 46
  150 18.37 184
  151 8.92 89
  152 4.12 41
  153 6.83 68
  154 1.58 16
  163 32.98 330
  164 3.35 34
  165 5.38 54
  166 4.71 47
  167 7.87 79
  168 1.05 11
  177 2.57 26
  178 9.06 91
  179 17.87 179
  180 3.15 32
  181 37.12 371
  182 6.94 69
  195 11.83 118
  196 99.99 999
  197 13.22 132
  198 1.71 17
//