ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001003
RECORD_TITLE: ORTHO-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$NAME: ORTHO-FLUOROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅FO₂
CH$EXACT_MASS: 140.02736
CH$SMILES: OC(=O)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060001

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$SPLASH: splash10-00dl-7900000000-5f127250a62e47ac459c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 1.06 11
  31 1.41 14
  37 2.18 22
  38 2.04 20
  39 3.38 34
  45 3.03 30
  50 11.62 116
  51 4.79 48
  56 1.97 20
  57 2.82 28
  61 1.41 14
  61.5 2.18 22
  62 1.55 16
  63 2.75 28
  64 2.18 22
  65 1.27 13
  68 4.23 42
  69 5.49 55
  70 4.79 48
  74 5.49 55
  75 20.99 210
  76 6.13 61
  92 3.38 34
  93 2.04 20
  94 3.73 37
  95 46.55 466
  96 5.7 57
  112 1.41 14
  120 2.11 21
  123 99.99 999
  124 7.54 75
  140 69.01 690
  141 7.04 70
//