MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005782
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005782
RECORD_TITLE: PERAZINE; CI-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)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: INCHIKEY
WEYVCQFUGFRXOM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6048628
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0002-9310000000-ec3169ce94eacf892f47
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
57 4.09 41
58 4.57 46
63 1.11 11
67 1.57 16
69 2.57 26
70 1.35 14
71 3.79 38
72 3.44 34
73 2.81 28
79 2.87 29
81 1.11 11
82 1.65 17
83 2.54 25
84 2.38 24
85 3.73 37
86 2.73 27
87 3.11 31
88 1.27 13
91 1.51 15
93 1.19 12
94 1.76 18
95 1.84 18
97 2.51 25
98 1.81 18
99 99.99 999
100 5.77 58
101 12.16 122
102 1.4 14
107 1.21 12
108 1.27 13
109 1.76 18
111 2.51 25
112 1.27 13
113 3.08 31
114 1.54 15
115 3.08 31
121 1.32 13
122 1.35 14
125 1.76 18
126 1.35 14
127 2.14 21
128 1.21 12
129 1.43 14
139 1.81 18
140 1.3 13
141 1.89 19
143 1.16 12
153 1.24 12
155 1.05 11
169 1.08 11
170 1.19 12
199 4.79 48
200 9.21 92
201 1.89 19
202 1.13 11
214 1.46 15
224 1.59 16
225 6.04 60
226 3 30
227 1.43 14
228 1.97 20
239 1.3 13
240 1.84 18
242 1.11 11
253 1.16 12
340 1.7 17
//