MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011508
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011508
RECORD_TITLE: SYN-15-TERT-BUTYL-18-METHOXY-2,11-DITHIA-5,6,7,9-TETRAFLUORO(3.3)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$NAME: SYN-15-TERT-BUTYL-18-METHOXY-2,11-DITHIA-5,6,7,9-TETRAFLUORO(3.3)METACYCLOPHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H22F4OS2
CH$EXACT_MASS: 430.10482
CH$SMILES: COc(c31)c(CSCc(c(F)2)c(F)c(CSC3)c(F)c(F)2)cc(C(C)(C)C)c1
CH$IUPAC: InChI=1S/C21H22F4OS2/c1-21(2,3)13-5-11-7-27-9-14-16(22)15(18(24)19(25)17(14)23)10-28-8-12(6-13)20(11)26-4/h5-6H,7-10H2,1-4H3
CH$LINK: INCHIKEY
ZTPUWTSQSLNXLF-UHFFFAOYSA-N
AC$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: splash10-05mo-9810300000-a574c13d6d94b3ff4087
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
30 37.92 379
33 20.38 204
39 24.26 243
41 64.77 648
43 38.29 383
44 17.68 177
45 50.47 505
55 33.6 336
57 99.99 999
77 24.34 243
91 41.46 415
105 19.42 194
115 38.48 385
116 19.43 194
117 25.92 259
129 22.19 222
131 29.83 298
145 19.79 198
161 24.83 248
163 27.82 278
165 27.82 278
175 32.61 326
176 55.26 553
177 33.99 340
191 29.7 297
207 33.13 331
209 18.61 186
221 48.7 487
415 74.9 749
416 21.07 211
430 65.98 660
431 24.49 245
//