ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010219
RECORD_TITLE: 2-ETHOXYCARBONYL-4-METHOXYCARBONYL-1-METHYL-5-PHENYLPYRROLIDINE (2,4-TRANS-4,5-CIS); 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$NAME: 2-ETHOXYCARBONYL-4-METHOXYCARBONYL-1-METHYL-5-PHENYLPYRROLIDINE (2,4-TRANS-4,5-CIS)
CH$NAME: (4S,5R)-2-ETHOXYCARBONYL-4-METHOXYCARBONYL-1-METHYL-5-PHENYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21NO4
CH$EXACT_MASS: 291.14706
CH$SMILES: CCOC(=O)C([H])(C1)N(C)C([H])(c(c2)cccc2)C([H])(C(=O)OC)1
CH$IUPAC: InChI=1S/C16H21NO4/c1-4-21-16(19)13-10-12(15(18)20-3)14(17(13)2)11-8-6-5-7-9-11/h5-9,12-14H,4,10H2,1-3H3/t12-,13+,14-/m0/s1
CH$LINK: INCHIKEY COEWARZJRMXCQB-MJBXVCDLSA-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$SPLASH: splash10-014i-3490000000-3d3e4fc7160c257a9cf3
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  38 1.63 16
  40 1.24 12
  41 11.04 110
  42 13.25 133
  55 1.77 18
  57 1.41 14
  58 4.29 43
  77 2.09 21
  82 2.47 25
  91 4.25 43
  103 1.38 14
  104 1.24 12
  109 1.09 11
  115 3.14 31
  116 1.73 17
  117 3.22 32
  118 2.09 21
  121 1.2 12
  128 1.63 16
  129 2.69 27
  131 1.78 18
  132 1.24 12
  143 3.1 31
  144 1.2 12
  157 1.1 11
  158 14.53 145
  159 3.66 37
  186 9.61 96
  187 1.36 14
  218 99.99 999
  219 14.79 148
  220 1.49 15
  260 2.62 26
  291 5.28 53
//
