ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001006
RECORD_TITLE: PARA-FLUOROBENZOIC 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$NAME: PARA-FLUOROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅FO₂
CH$EXACT_MASS: 140.02736
CH$SMILES: OC(=O)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060023

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00dm-8900000000-6424b0b84f9881cdbb73
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  28 5.23 52
  31 1.31 13
  37 2.24 22
  38 1.74 17
  39 2.24 22
  45 2.62 26
  47.5 1.04 10
  49 1.25 13
  50 10.91 109
  51 4.36 44
  56 1.53 15
  57 2.89 29
  61 1.36 14
  61.5 1.09 11
  62 1.53 15
  63 2.02 20
  68 3.92 39
  69 5.83 58
  70 3.82 38
  73 1.53 15
  74 7.09 71
  75 27.7 277
  76 2.51 25
  83 2.07 21
  94 1.31 13
  95 76.12 761
  96 6.54 65
  123 99.99 999
  124 7.31 73
  140 69.85 699
  141 5.89 59
//