ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002229
RECORD_TITLE: TEREPHTHALALDEHYDIC 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$NAME: TEREPHTHALALDEHYDIC ACID METHYL ESTER
CH$NAME: METHYL PARA-FORMYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O₃
CH$EXACT_MASS: 164.04734
CH$SMILES: O=Cc(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
CH$LINK: INCHIKEY FEIOASZZURHTHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4025610

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$SPLASH: splash10-001i-4900000000-fe21f4a3ee117cb5579b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  49 0.9 9
  50 13.5 135
  51 20.7 207
  52 0.29 3
  53 0.9 9
  62 1.4 14
  63 1.7 17
  66 0.17 2
  75 6.4 64
  76 9.6 96
  77 31.1 311
  78 0.17 2
  91 0.9 9
  92 1.4 14
  103 6.1 61
  104 0.64 6
  105 38.7 387
  106 3.4 34
  107 1.7 17
  119 0.29 3
  120 3.2 32
  121 0.9 9
  133 99.99 999
  134 0.93 9
  135 10.3 103
  136 1.4 14
  163 18.7 187
  164 5.35 54
  165 6.1 61
//