ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010286
RECORD_TITLE: METHYL TRANS-5-ETHYL-REF.-4-METHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE; 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$NAME: METHYL TRANS-5-ETHYL-REF.-4-METHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE
CH$NAME: METHYL (4R,5R)-5-ETHYL-4-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)(C1)C(CC)N=C(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C15H19NO2/c1-4-13-15(2,14(17)18-3)10-12(16-13)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3/t13-,15-/m1/s1
CH$LINK: INCHIKEY VYNPDGQQISDIGY-UKRRQHHQSA-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$SPLASH: splash10-0uec-5900000000-6bd1dfb704f9c97c442c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  39 34.71 347
  41 48.81 488
  50 12.31 123
  51 29.34 293
  53 11.52 115
  55 14.2 142
  59 18.25 183
  63 12.79 128
  69 12.78 128
  76 17.52 175
  77 60.34 603
  78 14.74 147
  89 15.63 156
  91 31.72 317
  102 12.76 128
  103 31.03 310
  104 94.53 945
  105 13.36 134
  115 31.11 311
  116 15.2 152
  117 12.5 125
  127 13.03 130
  128 26.86 269
  129 26.47 265
  130 99.99 999
  131 15.17 152
  142 10.49 105
  144 10.92 109
  145 25 250
  156 31.89 319
  157 23.38 234
  158 10.08 101
  170 7.75 78
  172 2.6 26
  173 6.74 67
  174 4.16 42
  184 8.12 81
  185 3.23 32
  186 20.48 205
  187 3.59 36
  188 3.38 34
  190 3.56 36
  216 4.53 45
  230 6.74 67
  245 8.85 89
  246 2.2 22
//