ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011483
RECORD_TITLE: BENZYL 3-ETHYL-4-METHYL-PYRROLE-2-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL 3-ETHYL-4-METHYL-PYRROLE-2-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₇NO₂
CH$EXACT_MASS: 243.12593
CH$SMILES: CCC1=C(NC=C1C)C(=O)OCC2=CC=CC=C2
CH$IUPAC: InChI=1S/C15H17NO2/c1-3-13-11(2)9-16-14(13)15(17)18-10-12-7-5-4-6-8-12/h4-9,16H,3,10H2,1-2H3
CH$LINK: INCHIKEY QQDVJEVOWNBCDV-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6x-9200000000-9a9259808eb0822157d8
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  37 1.4 14
  38 6.03 60
  39 55.04 550
  40 9.63 96
  41 28.43 284
  42 5.57 56
  43 2.08 21
  44 1.06 11
  50 9.92 99
  51 32.68 327
  52 22.1 221
  53 28.41 284
  54 4.64 46
  55 3.2 32
  62 3.55 36
  63 15.94 159
  64 7.57 76
  65 66.61 666
  66 23.28 233
  67 10.81 108
  68 3.63 36
  69 1.15 12
  74 1.19 12
  75 1.9 19
  76 2.67 27
  77 39.27 393
  78 15.09 151
  79 30.84 308
  80 12.76 128
  81 6.07 61
  82 1.45 15
  89 11.19 112
  90 8.98 90
  91 99.99 999
  92 24.5 245
  93 37.7 377
  94 8.57 86
  96 1.27 13
  104 4.38 44
  105 7.28 73
  106 22.44 224
  107 16.49 165
  108 13.03 130
  109 8.26 83
  119 1.16 12
  120 6.73 67
  121 1.35 14
  122 1.79 18
  133 1.65 17
  134 23.27 233
  135 3.89 39
  136 23.55 236
  137 2.95 30
  138 2.1 21
  152 32.39 324
  153 3.7 37
  168 1.14 11
  184 2.59 26
  198 1.88 19
  228 1.81 18
  243 17.76 178
  244 3.11 31
//