MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011286
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011286
RECORD_TITLE: HEXAFLUOROACETONE; 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$NAME: HEXAFLUOROACETONE
CH$NAME: PERFLUOROACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3F6O
CH$EXACT_MASS: 165.98533
CH$SMILES: O=C(C(F)(F)F)C(F)(F)F
CH$IUPAC: InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9
CH$LINK: INCHIKEY
VBZWSGALLODQNC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9043778
AC$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: splash10-014i-9000000000-3f3d6b6a01fe1cfb62cf
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
31 33.75 338
40 1.26 13
43 1.64 16
47 1.39 14
50 42.88 429
62 1.05 11
69 99.99 999
70 1.79 18
74 1.02 10
78 6.43 64
93 1.76 18
97 19.4 194
100 1.33 13
119 1.38 14
147 11.98 120
//
system version 2.2.8-SNAPSHOT