ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004573
RECORD_TITLE: 1,2-DIMETHOXYCARBONYL-3-OXO-5-PHENYL-4,5-DEHYDROPIPERIDINO(2,1,6-CD)INDOLIZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-DIMETHOXYCARBONYL-3-OXO-5-PHENYL-4,5-DEHYDROPIPERIDINO(2,1,6-CD)INDOLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₁₅NO₅
CH$EXACT_MASS: 361.09502
CH$SMILES: COC(=O)c(c(C(=O)OC)1)c(C([H])=4)n(C(=C([H])C([H])4)2)c(C(=O)C([H])=C(c(c3)cccc3)2)1
CH$IUPAC: InChI=1S/C21H15NO5/c1-26-20(24)17-15-10-6-9-14-13(12-7-4-3-5-8-12)11-16(23)19(22(14)15)18(17)21(25)27-2/h3-11H,1-2H3
CH$LINK: INCHIKEY UISUVSVDSFOHCY-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-01ot-1193000000-b663d8b2dc49c176ca01
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  41 2.13 21
  43 2.47 25
  44 10.95 110
  51 2.22 22
  57 2.17 22
  63 2.08 21
  77 2.37 24
  78 4.68 47
  94 2.57 26
  95 2.43 24
  108 10.55 106
  122 4.51 45
  123 2.1 21
  135 6.18 62
  136 5.96 60
  151 2.85 29
  163 2.12 21
  165 3.19 32
  187 3.59 36
  188 3.49 35
  189 4.8 48
  190 3.02 30
  213 2.42 24
  214 8.93 89
  215 15.4 154
  216 15.49 155
  217 17.24 172
  218 3.03 30
  228 4.14 41
  229 6.98 70
  230 2.96 30
  243 4.31 43
  244 6.02 60
  245 99.99 999
  246 21.01 210
  247 2.26 23
  257 2.97 30
  258 2.64 26
  259 5.87 59
  272 9.52 95
  273 23.51 235
  274 5.08 51
  302 3.22 32
  330 17.06 171
  331 7.87 79
  361 48.76 488
  362 12.18 122
  363 2.15 22
//