MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005768
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005768
RECORD_TITLE: PERICYAZINE; 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$NAME: PERICYAZINE
CH$NAME: 10-(3-(4-HYDROXY-1-PIPERIDINYL)PROPYL)PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H23N3OS
CH$EXACT_MASS: 365.15618
CH$SMILES: N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
CH$LINK: INCHIKEY
LUALIOATIOESLM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5045910
AC$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: splash10-03di-4931000000-bc6eaf361b17af48a30f
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
51 2.07 21
52 1.68 17
53 1.28 13
54 3.01 30
55 2.19 22
56 6.26 63
57 4.67 47
58 26.36 264
68 1.3 13
69 3.43 34
70 5.33 53
71 1.74 17
82 3.9 39
83 1.03 10
84 1.72 17
96 8.29 83
97 1.47 15
98 2.44 24
100 2.8 28
110 1.14 11
112 4.4 44
113 1.13 11
114 99.99 999
115 7.24 72
124 1.28 13
126 1.47 15
128 6.82 68
140 1.41 14
141 2.42 24
142 23.79 238
179 3.02 30
191 2.22 22
192 8.04 80
205 8.07 81
223 11.75 118
224 2.15 22
225 2.74 27
237 4.22 42
238 1.02 10
249 6.19 62
250 6.28 63
251 1.13 11
263 8.71 87
264 6.05 61
365 19.92 199
366 4.07 41
//
system version 2.2.8-SNAPSHOT