ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011611
RECORD_TITLE: HEXAFLUOROISOPROPANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXAFLUOROISOPROPANOL
CH$NAME: 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₂F₆O
CH$EXACT_MASS: 168.00098
CH$SMILES: OC(C(F)(F)F)C(F)(F)F
CH$IUPAC: InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
CH$LINK: CAS 920-66-1
CH$LINK: INCHIKEY BYEAHWXPCBROCE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022134

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0f92-9100000000-ca9bd0b3175790aec673
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  17 1.37 14
  18 6.07 61
  28 1.7 17
  29 56.41 564
  30 2.47 25
  31 10.03 100
  32 4.92 49
  44 1.25 13
  47 1.15 12
  49 54.23 542
  50 9.71 97
  51 92.25 923
  52 1.3 13
  60 3.36 34
  63 1.88 19
  67 2.85 29
  69 51.9 519
  78 3.68 37
  79 52.04 520
  80 9.2 92
  82 1.36 14
  93 1.13 11
  97 1.95 20
  99 99.99 999
  100 3.28 33
  101 26.2 262
  113 1.43 14
  129 43.92 439
  130 1.38 14
  149 10.99 110
//