MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003865
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003865
RECORD_TITLE: METHAPYRILENE; 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$NAME: METHAPYRILENE
CH$NAME: N,N-DIMETHYL-N'-(2-PYRIDYL)-N'-(2-THIENYL)METHYL-1,2-ETHANEDIAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H19N3S
CH$EXACT_MASS: 261.12997
CH$SMILES: CN(C)CCN(Cc(c2)scc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
CH$LINK: INCHIKEY
HNJJXZKZRAWDPF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023278
AC$INSTRUMENT: Unknown
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: splash10-0a4j-9100000000-9f9c0628cb8aefa5e587
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
38 0.9 9
39 2.4 24
40 1.4 14
41 0.19 2
42 5.9 59
43 2.4 24
44 2.9 29
45 0.39 4
46 0.9 9
50 0.9 9
51 1.9 19
52 0.29 3
53 2.9 29
54 1.4 14
55 2.4 24
56 0.34 3
57 2.4 24
58 99.99 999
59 4.9 49
60 0.09 1
64 0.4 4
65 1.4 14
66 0.9 9
67 0.09 1
68 0.4 4
69 1.4 14
70 1.9 19
71 1.84 18
72 28.4 284
73 1.9 19
74 0.4 4
75 0.09 1
76 0.9 9
77 0.4 4
78 6.4 64
79 0.89 9
80 1.4 14
81 0.4 4
82 1.4 14
83 0.19 2
84 23.9 239
85 3.4 34
89 0.9 9
90 0.09 1
91 4.4 44
92 0.9 9
93 1.2 12
95 0.09 1
96 0.9 9
97 71.4 714
98 7.4 74
99 0.39 4
100 0.4 4
103 0.9 9
104 0.4 4
105 0.19 2
106 2.4 24
107 2.9 29
108 0.4 4
109 0.04 0
117 0.9 9
118 1.4 14
119 3.9 39
120 0.09 1
121 1.4 14
147 0.4 4
148 0.4 4
149 0.19 2
150 2.9 29
151 0.9 9
152 0.4 4
155 0.09 1
156 0.4 4
157 1.9 19
158 0.4 4
187 0.04 0
188 0.9 9
189 3.9 39
190 11.9 119
191 1.49 15
192 1.9 19
193 0.9 9
194 0.4 4
201 0.09 1
202 0.9 9
203 6.9 69
204 1.4 14
205 0.09 1
206 0.4 4
215 0.4 4
216 0.9 9
217 0.14 1
218 0.4 4
219 0.4 4
260 0.9 9
261 1.09 11
262 1.9 19
263 0.9 9
264 0.4 4
266 0.04 0
267 1.4 14
//