MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011506
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011506
RECORD_TITLE: ANTI-4,5,8-TRIFLUORO-6-METHOXY-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$NAME: ANTI-4,5,8-TRIFLUORO-6-METHOXY-12,14,16-TRIMETHYL(2.2)METACYCLOPHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H21F3O
CH$EXACT_MASS: 334.15445
CH$SMILES: COc(c(F)1)c(C3)c(F)c(CCc(c(C)2)c(C)c(C3)c(C)c2)c(F)1
CH$IUPAC: InChI=1S/C20H21F3O/c1-10-9-11(2)14-6-8-16-17(21)15(7-5-13(10)12(14)3)18(22)19(23)20(16)24-4/h9H,5-8H2,1-4H3
CH$LINK: INCHIKEY
TXSVAOSOAJANMF-UHFFFAOYSA-N
AC$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: splash10-0159-1519000000-61bdf38da46d5187ddc6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
41 6.67 67
77 6.69 67
91 19.07 191
105 7.68 77
115 13.11 131
116 8.37 84
128 6.8 68
129 9.86 99
130 8.43 84
131 22.81 228
145 30.1 301
146 16.49 165
158 23.31 233
167 7.55 76
286 6.86 69
287 21.46 215
288 14.17 142
298 7.75 78
302 15.07 151
303 20.12 201
318 99.99 999
319 20.17 202
320 2.61 26
333 69.94 699
334 13.58 136
335 2.05 21
//