ACCESSION: MSBNK-RIKEN_NPDepo-NGA02813
RECORD_TITLE: piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids

CH$NAME: piperine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₇H₁₉NO₃
CH$EXACT_MASS: 285.3459
CH$SMILES: O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
CH$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$LINK: CAS 495-91-0
CH$LINK: CHEMSPIDER 553590
CH$LINK: INCHIKEY MXXWOMGUGJBKIW-YPCIICBESA-N
CH$LINK: COMPTOX DTXSID3021805
CH$LINK: PUBCHEM CID:638024

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0090000000-1b3883a9dcf09e581dc4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  200.4 0.73 0
  200.5 1.93 1
  200.6 3.99 3
  200.7 6.95 6
  200.8 10.51 10
  200.9 13.94 13
  201.0 16.37 16
  201.1 17.31 17
  201.2 16.77 16
  201.3 14.72 14
  201.4 10.98 10
  201.5 6.17 6
  201.6 1.94 1
  285.3 0.2 0
  285.4 1.64 1
  285.5 5.24 5
  285.6 11.87 11
  285.7 22.78 22
  285.8 38.97 38
  285.9 59.49 59
  286.0 80.24 80
  286.1 95.4 95
  286.2 100.0 99
  286.3 91.14 91
  286.4 69.22 69
  286.5 40.18 40
  286.6 14.37 14
  286.7 1.07 1
//