ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010451
RECORD_TITLE: 4-PHENYLBENZOIC 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$NAME: 4-PHENYLBENZOIC ACID
CH$NAME: 4-CARBOXYLICBIPHENYL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₂
CH$EXACT_MASS: 198.06808
CH$SMILES: OC(=O)c(c2)ccc(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
CH$LINK: INCHIKEY NNJMFJSKMRYHSR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059074

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$SPLASH: splash10-0002-2900000000-8f42f55a8a1368ff9e38
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 2.09 21
  38 1.39 14
  39 4.15 42
  45 6.3 63
  50 5.64 56
  51 7.81 78
  52 1.5 15
  62 2.32 23
  63 5.53 55
  74 3.79 38
  75 4.74 47
  76 9.91 99
  77 4.37 44
  85 3.81 38
  86 1.17 12
  87 1.75 18
  90 1.95 20
  98 1.04 10
  99 1.54 15
  101 1.33 13
  102 2.68 27
  115 2.03 20
  126 3.02 30
  127 3.65 37
  150 2.81 28
  151 8.5 85
  152 30.63 306
  153 16.67 167
  154 2.36 24
  170 2.17 22
  181 37.19 372
  182 5.37 54
  198 99.99 999
  199 14.86 149
  200 1.43 14
//