ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011481
RECORD_TITLE: ETHYL 3-METHYL-5-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$NAME: ETHYL 3-METHYL-5-METHYLPYRROLE-2-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃NO₂
CH$EXACT_MASS: 167.09463
CH$SMILES: CCOC(=O)C1=C(C=C(N1)C)C
CH$IUPAC: InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-7(3)10-8/h5,10H,4H2,1-3H3
CH$LINK: INCHIKEY IZSBSZYFPYIJDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40176410

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$SPLASH: splash10-00xr-6900000000-7edac69e161fdc108b38
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  38 2.09 21
  39 16.82 168
  40 5.33 53
  41 16.4 164
  42 7.48 75
  43 2.36 24
  45 1.09 11
  50 1.3 13
  51 3.94 39
  52 5.88 59
  53 9.16 92
  54 2.87 29
  63 2.21 22
  64 2.64 26
  65 20.94 209
  66 27.19 272
  67 18.37 184
  68 1.42 14
  77 1.87 19
  78 2.44 24
  80 1.42 14
  91 1.43 14
  92 11.76 118
  93 26.58 266
  94 22.69 227
  95 26.06 261
  96 1.88 19
  110 1.67 17
  120 30.54 305
  121 87.72 877
  122 62.15 622
  123 8.5 85
  138 34.51 345
  139 14.94 149
  140 1.15 12
  152 1.25 13
  166 1.37 14
  167 99.99 999
  168 10.61 106
  169 0.9 9
//