ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001402
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: 1-PIPEROYLPIPERIDINE
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: INCHIKEY MXXWOMGUGJBKIW-YPCIICBESA-N
CH$LINK: COMPTOX DTXSID3021805

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0fe0-0590000000-49115b64f9d288ede20b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  113 1.8 18
  115 20.5 205
  116 9.8 98
  117 0.12 1
  136 1.4 14
  137 13.8 138
  138 2.5 25
  143 1.72 17
  144 9.4 94
  148 4 40
  150 4.5 45
  156 0.2 2
  159 3.6 36
  164 1.1 11
  171 9.2 92
  172 2.17 22
  173 40.8 408
  174 30.5 305
  175 3 30
  200 2.26 23
  201 99.6 996
  202 32.6 326
  203 4.9 49
  284 1 10
  285 99.99 999
  286 20 200
  287 2.5 25
//