ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008262
RECORD_TITLE: TRIMESIC ACID TRIMETHYL ESTER; 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$NAME: TRIMESIC ACID TRIMETHYL ESTER
CH$NAME: 1,3,5-BENZENETRICARBOXYLIC ACID TRIMETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O₆
CH$EXACT_MASS: 252.06339
CH$SMILES: COC(=O)c(c1)cc(C(=O)OC)cc(C(=O)OC)1
CH$IUPAC: InChI=1S/C12H12O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h4-6H,1-3H3
CH$LINK: CAS 2672-58-4
CH$LINK: INCHIKEY RGCHNYAILFZUPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20181229

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$SPLASH: splash10-00di-3590000000-9c6acb858130c26c3237
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 13.64 136
  29 1.2 12
  51 1.1 11
  59 5.1 51
  63 2.7 27
  74 9.04 90
  75 19.64 196
  76 2.8 28
  77 2.12 21
  91 1.14 11
  95 1.7 17
  102 6.83 68
  103 3.28 33
  119 3.48 35
  120 1.03 10
  133 7.53 75
  134 9.28 93
  135 1.94 19
  147 11.86 119
  148 1.22 12
  161 8.99 90
  162 4.93 49
  163 1.97 20
  165 1.57 16
  177 1.07 11
  178 3.06 31
  193 21.05 211
  194 2.95 30
  207 4.38 44
  221 99.99 999
  222 13.32 133
  223 1.72 17
  251 2.28 23
  252 24.76 248
  253 3.6 36
//