MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003816
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003816
RECORD_TITLE: METHDILAZINE; 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$NAME: METHDILAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H20N2S
CH$EXACT_MASS: 296.13472
CH$SMILES: CN(C4)CC(C4)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
CH$LINK: INCHIKEY
HTMIBDQKFHUPSX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023282
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$SPLASH: splash10-0002-9310000000-08a0f77b83bac7e129ee
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
55 94 940
56 8.9 89
57 14.9 149
58 0.49 5
70 19.9 199
77 6.9 69
82 44.9 449
83 2.09 21
84 14.9 149
89 1.9 19
96 2.9 29
97 99.99 999
98 95 950
99 6.9 69
108 3.9 39
109 0.49 5
127 5.9 59
128 3.9 39
139 4.9 49
140 0.39 4
151 2.9 29
152 6.9 69
153 4.9 49
154 0.89 9
155 1.9 19
166 5.9 59
167 4.9 49
168 0.39 4
179 6.9 69
180 31.9 319
181 5.9 59
182 0.09 1
184 3.9 39
196 2.9 29
197 4.9 49
198 3.39 34
199 36.9 369
200 6.9 69
212 27.9 279
213 1.24 12
214 3.9 39
238 4.9 49
239 1.9 19
252 0.24 2
296 31.9 319
297 7.9 79
298 2.9 29
//