MassBank Record: JP011268



 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP011268
RECORD_TITLE: 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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$LINK: INCHIKEY BYEAHWXPCBROCE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022134
AC$INSTRUMENT: HITACHI M-80A AC$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$SPLASH: splash10-0fvj-9000000000-080c4a2565ed0f5063e3 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 17 2.16 22 18 1.62 16 19 1.04 10 29 99.99 999 30 10.85 109 31 39.3 393 32 12.68 127 33 2.43 24 40 1.62 16 43 1.35 14 44 6.04 60 47 2.47 25 49 41.99 420 50 27.65 277 51 69.09 691 52 1.56 16 60 7.65 77 61 1 10 63 4.89 49 67 3.23 32 69 88.5 885 70 1.23 12 74 1 10 78 4.43 44 79 21.49 215 80 13.41 134 81 1.2 12 82 2.07 21 93 2.91 29 99 33.38 334 100 3.21 32 101 13.5 135 113 1.6 16 129 19.06 191 149 5.61 56 //

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