MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002781
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002781
RECORD_TITLE: THENYLDIAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: THENYLDIAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H19N3S
CH$EXACT_MASS: 261.12997
CH$SMILES: CN(C)CCN(Cc(c2)csc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3
CH$LINK: INCHIKEY
RCGYDFVCAAKKNG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021335
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9100000000-ec80b5cc3d99e052fa94
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
37 1.5 15
38 4.1 41
39 7.9 79
40 1.03 10
41 7 70
42 14.2 142
43 6.5 65
44 1.01 10
45 9.8 98
46 0.3 3
47 1.2 12
48 0.08 1
49 0.8 8
50 2.9 29
51 8.9 89
52 0.79 8
53 9.1 91
54 1.8 18
55 4 40
56 0.48 5
57 4.9 49
58 99.99 999
59 4.3 43
60 0.03 0
61 0.7 7
62 0.8 8
63 1.9 19
64 0.15 2
65 2.4 24
66 1.8 18
67 3.6 36
68 0.15 2
69 2.4 24
70 3.5 35
71 22.4 224
72 2.36 24
73 2 20
74 0.1 1
75 1.2 12
76 0.09 1
78 13.5 135
79 14.9 149
80 2.5 25
81 0.15 2
82 1.1 11
83 1.5 15
84 0.9 9
85 0.11 1
90 0.3 3
91 2.3 23
92 1.3 13
93 0.02 0
94 2.3 23
95 1.7 17
96 0.9 9
97 6.81 68
98 7 70
99 4 40
100 1.5 15
102 0.09 1
103 0.7 7
104 1.1 11
105 5.1 51
106 0.23 2
107 3.8 38
108 1.2 12
109 1 10
110 0.12 1
111 0.9 9
112 3.2 32
113 0.3 3
114 0.03 0
115 1 10
116 0.8 8
117 1 10
118 0.29 3
119 4.8 48
120 1.6 16
121 1.6 16
122 0.03 0
123 0.8 8
124 0.2 2
125 0.2 2
126 0.02 0
127 0.1 1
128 0.1 1
129 0.1 1
130 0.02 0
131 1.4 14
132 0.9 9
133 1 10
134 0.09 1
135 1.2 12
136 0.2 2
139 0.1 1
156 0.03 0
157 1.6 16
158 0.7 7
159 0.1 1
161 0.08 1
162 1.1 11
163 0.9 9
165 0.3 3
166 0.02 0
167 0.8 8
168 0.1 1
185 0.7 7
186 0.01 0
187 1 10
188 0.8 8
189 3 30
190 0.78 8
191 7.9 79
192 1.7 17
193 0.9 9
194 0.01 0
201 0.2 2
202 0.3 3
203 6.1 61
204 0.17 2
205 0.9 9
210 1.1 11
211 0.1 1
212 0.02 0
213 0.3 3
214 0.5 5
215 1 10
216 0.09 1
217 1.1 11
218 1.1 11
219 1.5 15
220 0.03 0
259 0.3 3
261 1.3 13
262 0.3 3
//