MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011483
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
//
system version 2.2.8-SNAPSHOT