ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004223
RECORD_TITLE: 3,4,5-TRIMETHOXYBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 3,4,5-TRIMETHOXYBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O5
CH$EXACT_MASS: 226.08412
CH$SMILES: COC(=O)c(c1)cc(OC)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
CH$LINK: CAS 1916-07-0
CH$LINK: INCHIKEY KACHFMOHOPLTNX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0062058
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-03di-4960000000-d020b1a20eb2e37b748a
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  38 5.6 56
  39 5 50
  50 6.2 62
  51 0.16 2
  53 7.3 73
  59 11.3 113
  63 3.3 33
  64 0.16 2
  65 4.2 42
  66 11 110
  67 1.6 16
  69 0.45 5
  75 2.5 25
  76 2.2 22
  77 7.9 79
  78 0.36 4
  79 7.3 73
  81 7.9 79
  91 1.4 14
  92 0.39 4
  93 3.6 36
  94 1.6 16
  95 5.6 56
  96 0.16 2
  97 1.4 14
  106 1.4 14
  107 10.1 101
  108 0.39 4
  109 7.9 79
  110 1.4 14
  112 1.4 14
  113 0.16 2
  119 2.5 25
  121 1.9 19
  122 5 50
  123 0.84 8
  124 11 110
  125 11.8 118
  134 1.4 14
  135 0.42 4
  136 3.3 33
  137 7.3 73
  139 3.6 36
  140 0.67 7
  149 1.4 14
  150 1.9 19
  151 17.5 175
  152 0.99 10
  153 9 90
  155 32.2 322
  156 2.5 25
  165 0.53 5
  166 5.6 56
  167 6.5 65
  168 8.4 84
  169 0.19 2
  179 3.9 39
  183 17.5 175
  184 1.4 14
  195 4.53 45
  196 7.3 73
  211 99.99 999
  212 11 110
  226 4.7 47
  227 21.2 212
  228 2.8 28
//
