ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010289
RECORD_TITLE: METHYL 3,5-DIPHENYL-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$NAME: METHYL 3,5-DIPHENYL-1-PYRROLINE-4-CARBOXYLATE (3,4-TRANS-4,5-CIS)
CH$NAME: METHYL (3S,4R,5S)-3,5-DIPHENYL-1-PYRROLINE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₇NO₂
CH$EXACT_MASS: 279.12593
CH$SMILES: COC(=O)C(C2c(c3)cccc3)C(N=C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H17NO2/c1-21-18(20)16-15(13-8-4-2-5-9-13)12-19-17(16)14-10-6-3-7-11-14/h2-12,15-17H,1H3/t15-,16-,17-/m1/s1
CH$LINK: INCHIKEY ASARVIYRSZDLHI-BRWVUGGUSA-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$SPLASH: splash10-00lr-9710000000-a5098819508177b02252
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  32 27.37 274
  35 8.75 88
  39 8.42 84
  41 9.7 97
  43 30.69 307
  47 25.1 251
  48 10.68 107
  49 8.86 89
  51 17.89 179
  59 10.98 110
  77 40.92 409
  78 8.79 88
  83 99.99 999
  85 66.58 666
  87 12.01 120
  89 18.74 187
  90 30.63 306
  91 17.47 175
  103 14.47 145
  104 12.31 123
  105 53.35 534
  106 18.43 184
  115 30.11 301
  116 9.32 93
  117 82.68 827
  118 8.61 86
  130 10.64 106
  131 28.5 285
  158 22.38 224
  159 3.21 32
  163 24.58 246
  164 4.22 42
  165 3.71 37
  174 4.68 47
  176 10.2 102
  178 11.32 113
  189 3.25 33
  191 5.17 52
  192 4.6 46
  193 5.49 55
  201 4.8 48
  219 4.43 44
  220 22.99 230
  221 4.46 45
  248 3.06 31
  279 13 130
  280 2.47 25
//