ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010283
RECORD_TITLE: METHYL 2,3-DIMETHYL-5-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$NAME: METHYL 2,3-DIMETHYL-5-PHENYL-1-PYRROLINE-4-CARBOXYLATE (3,4-TRANS-4,5-CIS)
CH$NAME: METHYL (3R,4R,5S)-2,3-DIMETHYL-5-PHENYL-1-PYRROLINE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇NO₂
CH$EXACT_MASS: 231.12593
CH$SMILES: COC(=O)C(C(C)2)C(N=C(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H17NO2/c1-9-10(2)15-13(12(9)14(16)17-3)11-7-5-4-6-8-11/h4-9,12-13H,1-3H3/t9-,12+,13+/m0/s1
CH$LINK: INCHIKEY SMAVUOBZOAUWCW-ZWKOPEQDSA-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$SPLASH: splash10-001i-2920000000-c48d4e93e5ba5a35ccdb
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41 7.1 71
  69 7.6 76
  77 5.24 52
  89 11.64 116
  90 26.26 263
  91 10.17 102
  104 7.55 76
  115 6.11 61
  129 6.2 62
  130 39.14 391
  131 99.99 999
  132 9.82 98
  171 13.43 134
  172 29.68 297
  173 4.94 49
  200 7.86 79
  231 44.6 446
  232 6.56 66
//