ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001004
RECORD_TITLE: META-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$NAME: META-FLUOROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅FO₂
CH$EXACT_MASS: 140.02736
CH$SMILES: OC(=O)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060020

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$SPLASH: splash10-00dm-9800000000-bcd947f71235a27b2fc8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 1 10
  28 2.77 28
  31 2.09 21
  37 2.72 27
  38 2.56 26
  39 3.55 36
  45 4.29 43
  47.5 2.25 23
  49 1.88 19
  50 13.23 132
  51 5.85 59
  56 2.14 21
  57 4.08 41
  61 1.83 18
  61.5 2.14 21
  62 2.09 21
  63 2.61 26
  68 4.81 48
  69 6.69 67
  70 5.91 59
  73 1.57 16
  74 6.38 64
  75 25.35 254
  76 3.03 30
  83 2.14 21
  92 1.46 15
  93 1.57 16
  94 5.75 58
  95 72.66 727
  96 8.52 85
  112 2.2 22
  123 99.99 999
  124 7.42 74
  140 78.25 783
  141 5.91 59
//