ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005253
RECORD_TITLE: 1-PROPENE-1,2,3-TRICARBOXYLIC ACID TRIMETHYL ESTER; 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$NAME: 1-PROPENE-1,2,3-TRICARBOXYLIC ACID TRIMETHYL ESTER
CH$NAME: TRIMETHYL ACONITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O6
CH$EXACT_MASS: 216.06339
CH$SMILES: COC(=O)CC(=CC(=O)OC)C(=O)OC
CH$IUPAC: InChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3/b6-4+
CH$LINK: INCHIKEY DZAIBGWGBBQGPZ-GQCTYLIASA-N
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$SPLASH: splash10-0k9i-6900000000-f5c1bf803b9b0993f094
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 57.96 580
  31 39.65 397
  39 29.34 293
  45 10.42 104
  53 12.62 126
  59 63.07 631
  68 14.02 140
  75 12.62 126
  81 5.92 59
  83 4.51 45
  98 19.23 192
  101 5.11 51
  112 2.71 27
  113 20.53 205
  125 36.04 360
  126 12.02 120
  139 2.21 22
  141 14.32 143
  152 99.99 999
  155 56.16 562
  173 1.21 12
  185 98.5 985
  186 53.46 535
  216 1.81 18
//
