MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010432
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010432
RECORD_TITLE: N-(1-ETHYLPROPYL)-3,4-DIMETHYL-2,6-DINITROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: N-(1-ETHYLPROPYL)-3,4-DIMETHYL-2,6-DINITROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H19N3O4
CH$EXACT_MASS: 281.13756
CH$SMILES: CCC(CC)Nc(c([N+1]([O-1])=O)1)c([N+1]([O-1])=O)c(C)c(C)c1
CH$IUPAC: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
CH$LINK: INCHIKEY
CHIFOSRWCNZCFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7024245
AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0udi-2790000000-9af68c7a73a4585c8e62
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
39 1.65 17
41 2.74 27
43 3.71 37
44 1.1 11
53 1.83 18
55 1.54 15
57 6.02 60
65 2.25 23
66 1.58 16
77 3.14 31
78 1.56 16
79 2.05 21
90 1.26 13
91 3.65 37
92 1.96 20
93 1.36 14
103 1.55 16
104 2.31 23
105 1.83 18
106 2.45 25
107 1.35 14
116 1.45 15
117 1.69 17
118 4.2 42
119 4.06 41
120 3.19 32
121 1.25 13
130 1.86 19
131 2.33 23
132 2.34 23
133 2.63 26
134 2.32 23
135 1.37 14
143 1.22 12
144 2.96 30
145 3.02 30
146 3.2 32
147 3.29 33
148 1.98 20
149 1.03 10
150 1.22 12
158 2.11 21
159 2.67 27
160 2.41 24
161 6.03 60
162 8.96 90
163 2.14 21
164 2.23 22
171 1.29 13
172 1.51 15
173 2.18 22
174 3.74 37
175 1.8 18
176 1.66 17
177 1.13 11
178 1.17 12
180 1.3 13
186 1.02 10
187 1.37 14
188 3.45 35
189 1.48 15
190 1.91 19
191 6.35 64
192 8.33 83
193 1.98 20
194 4.14 41
202 2.72 27
203 1.06 11
204 1.31 13
208 5.68 57
211 1.32 13
216 1.94 19
217 3.4 34
218 1.55 16
220 5.45 55
222 1.14 11
236 3.81 38
252 99.99 999
253 14.73 147
254 1.83 18
281 12.75 128
282 2.27 23
//
system version 2.2.6-SNAPSHOT