ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010263
RECORD_TITLE: 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$NAME: METHYL 2-PHENYL-1-PYRROLINE-4-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃NO₂
CH$EXACT_MASS: 203.09463
CH$SMILES: COC(=O)C(C=2)CN(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H13NO2/c1-15-12(14)10-7-8-13(9-10)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
CH$LINK: INCHIKEY XNZMRAHKWAPVFU-UHFFFAOYSA-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$SPLASH: splash10-0pvl-9300000000-951663e62aaf69646e58
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  39 5.95 60
  40 70.85 709
  41 18.74 187
  42 44.22 442
  43 6.09 61
  44 6.6 66
  45 10.3 103
  50 26.64 266
  51 45.42 454
  52 12.43 124
  53 4.46 45
  54 5.11 51
  55 40.58 406
  59 99.99 999
  62 4.4 44
  63 26.72 267
  64 9.76 98
  65 13.04 130
  66 4.52 45
  67 5.81 58
  74 5.18 52
  75 11.92 119
  77 23.04 230
  78 58.16 582
  79 8.17 82
  86 4.5 45
  87 5.8 58
  89 30.2 302
  90 18.87 189
  91 29.93 299
  92 7.65 77
  94 1.83 18
  101 2.03 20
  102 5.92 59
  103 48.34 483
  104 15.65 157
  105 2.22 22
  110 1.86 19
  112 2.7 27
  114 4.16 42
  115 51.73 517
  116 22.04 220
  117 52.31 523
  118 8.27 83
  127 1.94 19
  130 2.94 29
  140 1.84 18
  141 2.94 29
  142 3.22 32
  143 10.32 103
  144 19.5 195
  145 2.54 25
  170 2.12 21
  203 3.84 38
  204 2.38 24
//