ACCESSION: MSBNK-RIKEN_NPDepo-NGA02815
RECORD_TITLE: piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-0udi-0090000000-cabfa809895559292265
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  134.5 2.02 2
  134.6 3.48 3
  134.7 5.44 5
  134.8 7.86 7
  134.9 10.29 10
  135.0 11.93 11
  135.1 12.35 12
  135.2 11.58 11
  135.3 9.7 9
  135.4 6.75 6
  135.5 3.37 3
  200.2 0.36 0
  200.3 1.66 1
  200.4 4.89 4
  200.5 10.8 10
  200.6 20.43 20
  200.7 35.17 35
  200.8 55.31 55
  200.9 77.31 77
  201.0 94.06 93
  201.1 100.0 99
  201.2 94.67 94
  201.3 80.02 79
  201.4 57.57 57
  201.5 31.27 31
  201.6 9.24 9
  201.7 0.07 0
  285.5 2.0 1
  285.6 3.64 3
  285.7 6.22 6
  285.8 10.49 10
  285.9 16.57 16
  286.0 23.11 23
  286.1 28.06 28
  286.2 30.08 30
  286.3 28.6 28
  286.4 23.27 23
  286.5 14.79 14
  286.6 6.01 6
  286.7 0.34 0
//