ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011270
RECORD_TITLE: PARA-FORMYLBENZOIC 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$NAME: PARA-FORMYLBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆O₃
CH$EXACT_MASS: 150.03169
CH$SMILES: O=Cc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
CH$LINK: INCHIKEY GOUHYARYYWKXHS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3027249

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$SPLASH: splash10-0udj-9700000000-7c8f8c2a3566d84216bd
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  17 1.07 11
  18 3.84 38
  26 1.9 19
  27 5.55 56
  29 17.52 175
  37 5.99 60
  38 8.33 83
  39 16.01 160
  40 3.65 37
  43 1.28 13
  44 1 10
  45 10.63 106
  49 4.64 46
  50 42.45 425
  51 47.71 477
  52 6.38 64
  53 5.8 58
  61 3.11 31
  62 3.73 37
  63 4.49 45
  64 1.38 14
  65 43.32 433
  66 5.16 52
  73 5.1 51
  74 22.3 223
  75 18.06 181
  76 20.71 207
  77 36.6 366
  78 4 40
  79 1.44 14
  89 1.27 13
  91 1.38 14
  93 4.21 42
  103 4.03 40
  104 7.3 73
  105 23.47 235
  106 2.07 21
  107 1.56 16
  121 29.8 298
  122 4.79 48
  133 14.53 145
  134 1.65 17
  135 1.76 18
  149 99.99 999
  150 85.97 860
  151 10.42 104
  152 1.29 13
//