MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011869
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011869
RECORD_TITLE: (2S,2AR,5AS,6R)-1-BENZOYL-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-1,2,3,4,5,6-HEXAHYDROPYRROLO(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$NAME: (2S,2AR,5AS,6R)-1-BENZOYL-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-1,2,3,4,5,6-HEXAHYDROPYRROLO(3,4-C)PYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H28N2O3Si
CH$EXACT_MASS: 468.18692
CH$SMILES: c(c5)(cccc5)C(N(C3([H])c(c4)cccc4)C(C(C3([H])1)(C(N(c(c2)cccc2)C1=O)=O)[H])([Si](C)(C)C)[H])=O
CH$IUPAC: InChI=1S/C28H28N2O3Si/c1-34(2,3)28-23-22(26(32)29(27(23)33)21-17-11-6-12-18-21)24(19-13-7-4-8-14-19)30(28)25(31)20-15-9-5-10-16-20/h4-18,22-24,28H,1-3H3/t22-,23+,24-,28+/m1/s1
CH$LINK: INCHIKEY
BVDBCALRFHDKGL-PVIBPIFHSA-N
AC$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: splash10-05di-9823200000-6d6103bef954875e6e3a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
51 6.8 68
59 3.5 35
73 68.5 685
74 6.6 66
75 8.4 84
77 53.5 535
78 4.8 48
90 3.1 31
91 3.8 38
103 6.8 68
104 6.4 64
105 99.99 999
106 7.9 79
115 4.3 43
117 3.2 32
128 6.7 67
131 4.4 44
163 3.7 37
177 4.3 43
178 4.5 45
205 3.1 31
206 3.9 39
246 22.7 227
247 4.8 48
248 4.4 44
321 6 60
378 41.2 412
379 10.9 109
380 10.6 106
453 19.1 191
454 7.5 75
467 10.4 104
468 10.3 103
469 5.5 55
//