ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011241
RECORD_TITLE: 2,6-DIFLUOROPHENYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2,6-DIFLUOROPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆F₂O₂
CH$EXACT_MASS: 172.03359
CH$SMILES: OC(=O)Cc(c(F)1)c(F)ccc1
CH$IUPAC: InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
CH$LINK: INCHIKEY FUGDCKXBUZFEON-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10234132

AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-0900000000-6f494df4d26c84dd2923
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  45 1.6 16
  51 0.6 6
  57 1.1 11
  63 0.5 5
  75 0.7 7
  77 2.8 28
  81 0.4 4
  83 0.5 5
  95 0.4 4
  96 0.4 4
  101 5.4 54
  107 4.9 49
  108 17.5 175
  109 2.5 25
  124 1.8 18
  125 1 10
  126 1.1 11
  127 99.99 999
  128 11.4 114
  129 0.6 6
  144 0.6 6
  152 1.6 16
  154 0.4 4
  172 48 480
  173 4.3 43
  174 0.4 4
//