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
//