ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011480
RECORD_TITLE: ETHYL 3-ETHYL-4-METHYLPYRROLE-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$NAME: ETHYL 3-ETHYL-4-METHYLPYRROLE-2-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅NO₂
CH$EXACT_MASS: 181.11028
CH$SMILES: CCC1=C(NC=C1C)C(=O)OCC
CH$IUPAC: InChI=1S/C10H15NO2/c1-4-8-7(3)6-11-9(8)10(12)13-5-2/h6,11H,4-5H2,1-3H3
CH$LINK: INCHIKEY IJIMBHGENKKALU-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$SPLASH: splash10-001r-8900000000-5d1b5b3df2b7d99b076b
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  37 2.84 28
  38 9.67 97
  39 58.58 586
  40 14.25 143
  41 47.22 472
  42 15.31 153
  43 25.98 260
  44 3.16 32
  45 14.23 142
  50 9.72 97
  51 28.36 284
  52 28.78 288
  53 34.69 347
  54 6.53 65
  55 4.47 45
  56 1.68 17
  57 0.91 9
  62 2.48 25
  63 8.67 87
  64 7.32 73
  65 40.29 403
  66 23.66 237
  67 11.44 114
  68 3.1 31
  74 1.06 11
  75 1.24 12
  76 3.62 36
  77 39.81 398
  78 16.12 161
  79 35.29 353
  80 17.43 174
  81 6.87 69
  82 2.4 24
  91 6.72 67
  92 21.64 216
  93 33.04 330
  94 9.95 100
  95 1.05 11
  104 8.72 87
  105 4.72 47
  106 49.29 493
  107 21.58 216
  108 29.38 294
  109 5.49 55
  110 0.98 10
  114 1.17 12
  118 1.34 13
  119 3.24 32
  120 69.03 690
  121 7.28 73
  122 10.25 103
  123 1.21 12
  124 1.21 12
  128 4.5 45
  132 1.27 13
  133 2.86 29
  134 88.75 888
  135 26.61 266
  136 38.26 383
  137 4.88 49
  138 16.96 170
  139 2.14 21
  140 1.44 14
  152 81.07 811
  153 10.82 108
  154 1.59 16
  166 22.53 225
  167 2.62 26
  180 3.13 31
  181 99.99 999
  182 21.01 210
  183 2.09 21
//