ACCESSION: MSBNK-Metabolon-MT000119
RECORD_TITLE: Piperine; LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Piperine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₇H₁₉NO₃
CH$EXACT_MASS: 285.13649
CH$SMILES: O=C(C=CC=Cc(c2)cc(O3)c(OC3)c2)N(C1)CCCC1
CH$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: KEGG C03882
CH$LINK: INCHIKEY MXXWOMGUGJBKIW-YPCIICBESA-N
CH$LINK: COMPTOX DTXSID3021805

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 286.2
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-0udi-0090000000-6221df9a927cf5dae43f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  84.1 0.3 3
  86.1 0.2 2
  112.1 0.5 5
  134.5 0.3 3
  135.1 2.9 29
  136.1 0.1 1
  143.1 0.2 2
  150.2 0.3 3
  151.2 0.2 2
  171.1 0.3 3
  173.1 1.2 12
  174.2 0.2 2
  185.2 0.1 1
  201.1 100.0 999
  202.1 5.3 53
  203.2 0.3 3
  215.1 0.4 4
  216.3 0.1 1
  218.1 0.2 2
  258.2 0.1 1
  268.2 0.1 1
//