ACCESSION: MSBNK-RIKEN_NPDepo-NGA02814
RECORD_TITLE: piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0f79-0090000000-ea65d2cb23502632ba84
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  134.7 2.7 2
  134.8 3.89 3
  134.9 5.16 5
  135.0 6.16 6
  135.1 6.51 6
  135.2 6.08 6
  135.3 4.98 4
  135.4 3.4 3
  200.3 0.74 0
  200.4 3.54 3
  200.5 8.89 8
  200.6 16.81 16
  200.7 27.55 27
  200.8 41.21 41
  200.9 55.92 55
  201.0 67.67 67
  201.1 73.02 72
  201.2 70.89 70
  201.3 61.11 61
  201.4 44.13 44
  201.5 23.7 23
  201.6 6.81 6
  201.7 0.0 0
  285.3 0.19 0
  285.4 1.73 1
  285.5 5.64 5
  285.6 12.76 12
  285.7 23.73 23
  285.8 39.2 39
  285.9 58.75 58
  286.0 79.11 79
  286.1 94.56 94
  286.2 100.0 99
  286.3 92.9 92
  286.4 73.28 73
  286.5 45.25 45
  286.6 18.05 18
  286.7 1.79 1
//