MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011480
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
//