ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010267
RECORD_TITLE: METHYL 2,3-DIPHENYL-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$NAME: METHYL 2,3-DIPHENYL-1-PYRROLINE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₇NO₂
CH$EXACT_MASS: 279.12593
CH$SMILES: COC(=O)C(C2)C(c(c3)cccc3)C(=N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H17NO2/c1-21-18(20)15-12-19-17(14-10-6-3-7-11-14)16(15)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3
CH$LINK: INCHIKEY OCMNRGUEENYBHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50513519

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$SPLASH: splash10-014i-2920000000-bcdc948f5fd0972449dd
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  38 2.69 27
  51 4.47 45
  63 2.18 22
  65 2.22 22
  77 13.91 139
  78 3.11 31
  89 4.04 40
  90 4.49 45
  91 11.57 116
  102 1.85 19
  103 5.66 57
  104 10.49 105
  105 6.22 62
  115 8.46 85
  116 5.08 51
  117 99.99 999
  118 11.32 113
  131 3.61 36
  133 7.84 78
  144 3.77 38
  145 4 40
  174 1.94 19
  176 10.06 101
  177 4.07 41
  191 2.07 21
  192 6.61 66
  218 1.82 18
  219 3.59 36
  220 14.68 147
  221 4.76 48
  279 15.62 156
  280 4.85 49
  295 8.03 80
  296 2.04 20
//