MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005656
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005656
RECORD_TITLE: PIPERINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: PIPERINE
CH$NAME: (E,E)-1-(5-(1,3-BENZODIOXOL-5-YL)-1-OXO-2,4-PENTADIENYL)PIPERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19NO3
CH$EXACT_MASS: 285.13649
CH$SMILES: [H]C(C([H])=C([H])c(c2)cc(O3)c(OC3)c2)=C([H])C(=O)N(C1)CCCC1
CH$IUPAC: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
CH$LINK: CAS
94-62-2
CH$LINK: INCHIKEY
MXXWOMGUGJBKIW-YPCIICBESA-N
CH$LINK: COMPTOX
DTXSID3021805
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0uki-1980000000-0d80d5bd56077694f4ab
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
28 1.62 16
29 1.24 12
42 1.06 11
44 1.26 13
45 1.46 15
55 2.24 22
56 1.76 18
57 1.02 10
60 1.12 11
69 3.2 32
70 1.46 15
71 1.02 10
82 1 10
83 2.16 22
84 25.64 256
85 4.26 43
86 1.31 13
91 1.07 11
96 1.49 15
97 1.1 11
98 1.12 11
99 1.83 18
103 1.57 16
109 1 10
112 8.72 87
113 3.86 39
114 2.72 27
115 51.49 515
116 15.2 152
117 4.02 40
122 2.7 27
123 1.02 10
127 1.41 14
129 1.01 10
131 1.37 14
135 4.34 43
136 2.83 28
137 14.16 142
138 4.1 41
143 23.75 238
144 12.97 130
145 2.31 23
148 4.47 45
149 1.28 13
150 3.61 36
156 2.42 24
157 1.13 11
159 5.65 57
160 1.09 11
164 2.29 23
170 1.19 12
171 16.3 163
172 22.15 222
173 40.27 403
174 32.06 321
175 4.32 43
187 1.83 18
199 1.3 13
200 20.57 206
201 99.99 999
202 30.79 308
203 4.33 43
229 1.35 14
256 2.78 28
257 2.03 20
268 1.56 16
271 1.58 16
284 8.95 90
285 81.79 818
286 15.72 157
287 2.49 25
//