MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009677
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009677
RECORD_TITLE: ETHYL 4-CARBAMOYL-3,5-DIMETHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-CARBAMOYL-3,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15NO3
CH$EXACT_MASS: 221.10519
CH$SMILES: CCOC(=O)c(c1)cc(C)c(C(N)=O)c(C)1
CH$IUPAC: InChI=1S/C12H15NO3/c1-4-16-12(15)9-5-7(2)10(11(13)14)8(3)6-9/h5-6H,4H2,1-3H3,(H2,13,14)
CH$LINK: INCHIKEY
LURKQVNXGQMQEE-UHFFFAOYSA-N
AC$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: splash10-00b9-9870000000-531267392f200aedef02
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
26 2.3 23
27 15.8 158
29 18.8 188
30 0.25 3
31 1 10
39 10.6 106
40 1 10
41 0.4 4
42 3.8 38
43 13.3 133
44 23 230
45 0.4 4
50 2.9 29
51 10.9 109
52 4.4 44
53 0.59 6
54 1.1 11
55 2.7 27
57 1.9 19
62 0.63 6
63 8.5 85
64 2.7 27
65 8 80
66 0.21 2
67 1.8 18
69 1.5 15
74 1.6 16
75 0.23 2
76 3 30
77 34.9 349
78 13 130
79 1.35 14
80 3 30
87 1.2 12
88 1.1 11
89 0.34 3
90 1.2 12
91 12 120
92 2.3 23
93 0.58 6
101 1 10
102 5.2 52
103 27.6 276
104 1.59 16
105 11.2 112
106 6.8 68
107 1.3 13
116 0.1 1
117 2.4 24
118 3 30
119 2.5 25
120 0.69 7
121 5.8 58
130 3.9 39
131 9 90
132 1.09 11
133 7.4 74
146 1 10
147 4.3 43
148 0.94 9
149 15.1 151
150 2.4 24
158 2.1 21
160 0.12 1
162 1 10
175 1.6 16
176 76.6 766
177 2.39 24
178 2.9 29
192 2.8 28
193 4.3 43
204 7.95 80
205 47.6 476
206 9.8 98
207 1.1 11
220 0.13 1
221 99.99 999
222 15.1 151
223 1.7 17
//