ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010287
RECORD_TITLE: METHYL 5-ETHYL-3-METHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE (3,4-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$NAME: METHYL 5-ETHYL-3-METHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE (3,4-TRANS-4,5-CIS)
CH$NAME: METHYL (4R,5R)-5-ETHYL-3-METHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₂
CH$EXACT_MASS: 245.14158
CH$SMILES: COC(=O)C(C(CC)2)C(C)C(=N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H19NO2/c1-4-12-13(15(17)18-3)10(2)14(16-12)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t10-,12-,13-/m1/s1
CH$LINK: INCHIKEY XWJJRAGNCUIQPA-RAIGVLPGSA-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$SPLASH: splash10-0udl-9800000000-853316e918dd5f85a649
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  39 57.03 570
  41 55.23 552
  42 14.47 145
  43 29.53 295
  51 46.26 463
  52 15.14 151
  53 24.01 240
  55 27.73 277
  59 24.97 250
  63 16.24 162
  67 16 160
  69 29.04 290
  76 18.86 189
  77 64 640
  78 14.3 143
  89 16.18 162
  91 36.12 361
  103 29.59 296
  104 99.99 999
  105 15.62 156
  115 30.11 301
  116 14.64 146
  128 16.23 162
  129 20.36 204
  130 79.35 794
  131 18.79 188
  132 2.98 30
  141 2.42 24
  142 3.29 33
  143 5.47 55
  144 6.91 69
  145 23.18 232
  146 7.22 72
  147 5.96 60
  154 3.53 35
  155 2.4 24
  156 30.53 305
  157 13.15 132
  158 8.77 88
  170 6.48 65
  174 3.81 38
  184 4.33 43
  186 17.87 179
  187 2.43 24
  216 6.29 63
  217 3.68 37
  230 2.49 25
  245 7.95 80
  246 2.58 26
//