MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011504
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011504
RECORD_TITLE: ANTI-5,8,13,16-TETRAFLUORO-4,6,12,14-TETRAMETHOXY(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$NAME: ANTI-5,8,13,16-TETRAFLUORO-4,6,12,14-TETRAMETHOXY(2.2)METACYCLOPHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H20F4O4
CH$EXACT_MASS: 400.12977
CH$SMILES: COc(c(F)1)c(C3)c(F)c(CCc(c(OC)2)c(F)c(C3)c(OC)c(F)2)c(OC)1
CH$IUPAC: InChI=1S/C20H20F4O4/c1-25-17-9-5-6-11-14(22)12(20(28-4)16(24)19(11)27-3)8-7-10(13(9)21)18(26-2)15(17)23/h5-8H2,1-4H3
CH$LINK: INCHIKEY
QJDOJWNZFOVWFQ-UHFFFAOYSA-N
AC$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: splash10-0udi-3923400000-7f05f96fbc76f7d407c1
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
43 10.34 103
44 34.83 348
57 27.94 279
69 12.37 124
75 10.36 104
101 12.64 126
114 16.34 163
127 26.21 262
140 37.28 373
155 17.37 174
170 43.51 435
171 12.75 128
185 11.29 113
187 11.21 112
199 56.06 561
200 18.82 188
201 40.61 406
214 15.89 159
374 11.32 113
385 62.79 628
386 16.57 166
400 99.99 999
401 22.18 222
//