ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008230
RECORD_TITLE: 3,4,5-TRIMETHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 3,4,5-TRIMETHOXYBENZALDEHYDE
CH$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$LINK: CAS 86-81-7
CH$LINK: INCHIKEY OPHQOIGEOHXOGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4058948
AC$INSTRUMENT: HITACHI M-60
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: splash10-000t-5900000000-40f393144b6202240307
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  15 10.7 107
  27 2.44 24
  29 5.64 56
  37 1.88 19
  38 6.19 62
  39 22.64 226
  41 2.9 29
  43 2.42 24
  45 1.69 17
  49 1.2 12
  50 7.12 71
  51 10.36 104
  52 2.61 26
  53 8.55 86
  54 1.31 13
  55 1.78 18
  59 1.64 16
  61 1.12 11
  62 2.65 27
  63 3.92 39
  64 1.71 17
  65 11.62 116
  66 7.94 79
  67 7.74 77
  68 0.83 8
  69 1.62 16
  74 1.02 10
  75 2.44 24
  76 1.95 20
  77 10.16 102
  78 3.1 31
  79 7.42 74
  80 1.73 17
  81 3.98 40
  82 5.35 54
  91 1.23 12
  92 2.17 22
  93 21.05 211
  94 3.05 31
  95 15.78 158
  96 2.38 24
  97 3.08 31
  104 1.42 14
  105 2.17 22
  106 1.05 11
  107 3.37 34
  108 2.29 23
  109 3.13 31
  110 22.49 225
  111 1.97 20
  119 2.27 23
  120 1.29 13
  121 4.4 44
  122 2.24 22
  123 5.7 57
  124 1.91 19
  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
  139 1.79 18
  149 1.09 11
  150 1.69 17
  151 1.48 15
  152 2.96 30
  153 9.36 94
  154 1.01 10
  165 2.48 25
  166 3.52 35
  167 5.15 52
  168 0.9 9
  179 2.96 30
  180 2.43 24
  181 77.66 777
  182 8.37 84
  183 1.21 12
  195 10.39 104
  196 99.99 999
  197 17.37 174
  198 2.2 22
//
