MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011502
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011502
RECORD_TITLE: ANTI-4,5,6,8-TETRAFLUORO-12,14,16-TRIMETHYL(2.2)METACYCLOPHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TASHIRO M, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ANTI-4,5,6,8-TETRAFLUORO-12,14,16-TRIMETHYL(2.2)METACYCLOPHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H18F4
CH$EXACT_MASS: 322.13446
CH$SMILES: Cc(c1)c(C3)c(C)c(CCc(c(F)2)c(F)c(C3)c(F)c(F)2)c(C)1
CH$IUPAC: InChI=1S/C19H18F4/c1-9-8-10(2)13-5-7-15-16(20)14(6-4-12(9)11(13)3)17(21)19(23)18(15)22/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
AVGZVIJRPJSSMB-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0596-7839000000-1490ef13c6e5bc485bbe
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
30 16.54 165
32 12.9 129
39 15.54 155
41 18.45 185
43 73.19 732
44 15.5 155
58 18.54 185
91 34.59 346
105 15.11 151
115 24.63 246
117 12.01 120
128 11.54 115
129 17.01 170
130 14.93 149
131 19.94 199
145 52.18 522
146 19.92 199
176 25.24 252
256 15.76 158
272 13.48 135
287 25.79 258
289 12.83 128
292 13.57 136
302 36.51 365
307 99.99 999
308 16.61 166
322 60.35 604
323 19.15 192
//