ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010223
RECORD_TITLE: 2-ETHOXYCARBONYL-3,4-DIMETHOXYCARBONYL-1-METHYL-5-PHENYLPYRROLIDINE (2,3,5-CIS-4,5-TRANS); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-ETHOXYCARBONYL-3,4-DIMETHOXYCARBONYL-1-METHYL-5-PHENYLPYRROLIDINE (2,3,5-CIS-4,5-TRANS)
CH$NAME: (2S,3R,4R,5R)-2-ETHOXYCARBONYL-3,4-DIMETHOXYCARBONYL-1-METHYL-5-PHENYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H23NO6
CH$EXACT_MASS: 349.15254
CH$SMILES: CCOC(=O)C([H])(N(C)1)C([H])(C(=O)OC)C([H])(C(=O)OC)C([H])(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C18H23NO6/c1-5-25-18(22)15-13(17(21)24-4)12(16(20)23-3)14(19(15)2)11-9-7-6-8-10-11/h6-10,12-15H,5H2,1-4H3/t12-,13+,14-,15-/m0/s1
CH$LINK: INCHIKEY XZCVHTYLCXMOOX-XGUBFFRZSA-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$SPLASH: splash10-00ou-1490000000-17c58fe5757db5800e26
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  42 6.42 64
  43 11.21 112
  44 8.11 81
  56 6.89 69
  58 8.13 81
  71 4.26 43
  77 5.34 53
  91 8.58 86
  115 13.43 134
  116 5.74 57
  117 5.58 56
  131 4.42 44
  132 5.75 58
  143 7.9 79
  156 6.43 64
  157 19.27 193
  158 24.98 250
  159 4.54 45
  160 12.62 126
  184 30.13 301
  185 4.93 49
  216 72.68 727
  217 12.28 123
  218 4.23 42
  229 1.86 19
  230 1.86 19
  244 65.44 654
  245 10.53 105
  246 2.88 29
  258 1.65 17
  262 3.32 33
  275 1.79 18
  276 99.99 999
  277 19.31 193
  278 2.61 26
  290 12.37 124
  291 1.9 19
  318 3.18 32
  349 8.5 85
  350 1.88 19
//
