MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005769
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005769
RECORD_TITLE: PERAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: PERAZINE
CH$NAME: 10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)-10H-PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H25N3S
CH$EXACT_MASS: 339.17692
CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
CH$LINK: CAS
84-97-9
CH$LINK: INCHIKEY
WEYVCQFUGFRXOM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6048628
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-01w4-3932000000-826fc2cac2d9f88605f2
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
51 2.3 23
52 3.62 36
56 8.48 85
57 1.64 16
58 15.15 152
59 1.72 17
62 1.31 13
63 2.22 22
65 2.47 25
69 2.47 25
70 89.62 896
71 13.17 132
72 4.2 42
75 2.22 22
77 3.29 33
78 1.72 17
80 1.48 15
82 1.97 20
83 3.45 35
84 5.6 56
85 6.5 65
86 1.97 20
88 1.56 16
89 1.31 13
93 2.22 22
96 3.87 39
97 4.94 49
98 3.54 35
99 7.41 74
100 4.44 44
101 2.14 21
105 1.81 18
106 1.56 16
108 2.14 21
111 8.56 86
112 4.2 42
113 87.31 873
114 9.55 96
115 2.05 21
117 1.31 13
125 2.05 21
126 2.47 25
127 15.73 157
128 3.37 34
130 1.31 13
135 2.55 26
136 1.72 17
138 1.56 16
139 6.83 68
140 4.85 49
141 54.11 541
142 5.93 59
148 1.31 13
151 1.31 13
152 4.36 44
153 3.37 34
154 11.12 111
155 3.04 30
165 1.56 16
166 10.87 109
167 21.91 219
168 3.62 36
170 1.48 15
171 4.2 42
172 1.97 20
178 1.97 20
179 5.6 56
180 23.39 234
181 4.44 44
184 2.14 21
191 1.56 16
192 1.64 16
193 1.72 17
196 2.96 30
197 5.18 52
198 38.22 382
199 67.29 673
200 9.96 100
201 3.87 39
205 1.4 14
206 1.64 16
207 1.31 13
210 3.45 35
211 1.56 16
212 18.61 186
213 14.9 149
214 3.62 36
223 5.93 59
224 16.39 164
225 17.95 180
226 13.34 133
227 3.04 30
236 4.85 49
237 2.88 29
238 31.05 311
239 20.09 201
240 4.44 44
241 2.05 21
268 1.81 18
269 1.31 13
282 4.53 45
295 4.61 46
296 1.97 20
337 2.22 22
339 99.99 999
340 25.2 252
341 7.82 78
342 2.05 21
//
system version 2.2.8-SNAPSHOT