ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009592
RECORD_TITLE: TEREPHTHALIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: TEREPHTHALIC ACID
CH$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$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-014j-9500000000-6b6ec61e945c382eed89
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  23 1.01 10
  26 1.65 17
  27 7.15 72
  29 9.25 93
  31 3.54 35
  32 3.64 36
  37 4.75 48
  38 10.59 106
  39 29.25 293
  40 2.55 26
  41 8.43 84
  42 3.24 32
  43 8.07 81
  44 4.4 44
  45 17.4 174
  49 4.68 47
  50 44.82 448
  51 35.32 353
  52 4.45 45
  53 7.77 78
  55 1.81 18
  56 2.24 22
  57 3.11 31
  59 3.19 32
  60 2.8 28
  61 4.04 40
  62 8.47 85
  63 10.82 108
  65 93.66 937
  66 7.05 71
  67 1.73 17
  68 3.58 36
  69 2.75 28
  71 3.05 31
  72 1.74 17
  73 11.01 110
  74 45.36 454
  75 30.27 303
  76 36.28 363
  77 12.04 120
  78 3.5 35
  81 4.44 44
  83 1.82 18
  86 1.19 12
  90 1.5 15
  92 1.09 11
  93 8.62 86
  98 1.01 10
  101 2.79 28
  102 2.31 23
  103 8.3 83
  104 11.11 111
  105 6.83 68
  115 1.61 16
  119 3.53 35
  120 2.24 22
  121 42.97 430
  122 6.16 62
  138 5.29 53
  148 7.68 77
  149 99.99 999
  150 9.17 92
  166 88.83 888
  167 6.73 67
  168 1.39 14
//