MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011870
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011870
RECORD_TITLE: (2AR,5AR,6S)-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIKI O, FAC, TECHNOLOGY, OSAKA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (2AR,5AR,6S)-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H22N2O2Si
CH$EXACT_MASS: 362.14505
CH$SMILES: c(c4)ccc(c4)N(C(=O)1)C(=O)C([H])(C([H])([Si](C)(C)C)2)C([H])1C(c(c3)cccc3)=N2
CH$IUPAC: InChI=1S/C21H22N2O2Si/c1-26(2,3)19-17-16(18(22-19)14-10-6-4-7-11-14)20(24)23(21(17)25)15-12-8-5-9-13-15/h4-13,16-17,19H,1-3H3/t16-,17+,19+/m1/s1
CH$LINK: INCHIKEY
NMQPRLMQDAJJKZ-AOIWGVFYSA-N
AC$INSTRUMENT: Unknown
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: splash10-0229-9445000000-6462ceca91ff58192536
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
51 6.6 66
52 3.4 34
63 3.7 37
64 3.1 31
67 5.3 53
68 3.6 36
73 99.99 999
74 9.1 91
75 8.4 84
77 14.5 145
89 3.4 34
91 5.3 53
93 3.2 32
103 4.3 43
104 4.7 47
105 11.2 112
115 11.6 116
116 3.2 32
117 17.3 173
119 4.5 45
130 14.2 142
131 11.6 116
142 7 70
143 4.2 42
200 7.2 72
214 9.6 96
215 13.8 138
216 3.2 32
242 11 110
278 12.1 121
279 12.8 128
290 6.4 64
291 6.1 61
347 13.7 137
348 13 130
349 4.1 41
361 8.2 82
362 27.7 277
363 28.5 285
364 8.9 89
//