MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011870

(2AR,5AR,6S)-6-TRIMETHYLSILYL-3,5-DIOXO-2,4-DIPHENYL-3,4,5,6-TETRAHYDROPYRROLO(3,4-C)PYRROLE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo