ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008820
RECORD_TITLE: PENTAFLUOROBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PENTAFLUOROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇HF₅O
CH$EXACT_MASS: 195.99476
CH$SMILES: O=Cc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
CH$LINK: INCHIKEY QJXCFMJTJYCLFG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022101

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0002-3900000000-969027231d52c835802b
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  43 1.53 15
  55 5.06 51
  56 3.38 34
  57 0.9 9
  60 0.42 4
  61 2.78 28
  68 2.88 29
  69 4.92 49
  74 6.49 65
  75 8.19 82
  79 19.65 197
  80 5.21 52
  86 4.6 46
  87 0.44 4
  93 21.13 211
  98 22.41 224
  99 51.69 517
  100 2.74 27
  110 2.78 28
  117 58.77 588
  118 9.77 98
  124 1.45 15
  129 2.73 27
  130 0.59 6
  137 10.79 108
  148 13.17 132
  149 5.2 52
  161 0.51 5
  167 49.98 500
  168 26.12 261
  169 0.74 7
  195 94.81 948
  196 99.99 999
  197 8.04 80
//