MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011481
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
//