ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010452
RECORD_TITLE: TEREPHTHALIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TEREPHTHALIC ACID
CH$NAME: 1,4-BENZENEDICARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆O₄
CH$EXACT_MASS: 166.02661
CH$SMILES: OC(=O)c(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026080

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-014j-6900000000-1a7e017001fe0602a248
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 1.61 16
  28 3.73 37
  29 1.11 11
  37 2.07 21
  38 3.4 34
  39 12.2 122
  45 10.82 108
  49 1.1 11
  50 12.33 123
  51 9.92 99
  52 1.81 18
  53 3.84 38
  62 1.03 10
  63 3.21 32
  64 1.19 12
  65 44.32 443
  66 3.57 36
  73 1.36 14
  74 9.04 90
  75 8.28 83
  76 11.27 113
  77 5.85 59
  78 1.47 15
  79 2.42 24
  93 2.38 24
  103 2.09 21
  104 3.21 32
  105 3.07 31
  121 13.74 137
  122 1.93 19
  138 1.68 17
  149 99.99 999
  150 9.76 98
  151 1.22 12
  155 1.11 11
  166 74.74 747
  167 15.7 157
  168 1.69 17
//