ACCESSION: MSBNK-RIKEN_NPDepo-NGA02816
RECORD_TITLE: piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-0udi-0970000000-392b875f1ce5e9e4695d
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  68.6 2.01 2
  68.7 3.43 3
  68.8 5.34 5
  68.9 7.47 7
  69.0 9.28 9
  69.1 10.25 10
  69.2 10.08 10
  69.3 8.68 8
  69.4 6.24 6
  69.5 3.41 3
  114.4 1.39 1
  114.5 3.36 3
  114.6 6.74 6
  114.7 11.44 11
  114.8 16.85 16
  114.9 21.83 21
  115.0 25.12 25
  115.1 26.04 26
  115.2 24.68 24
  115.3 21.22 21
  115.4 15.61 15
  115.5 8.68 8
  115.6 2.66 2
  134.3 1.32 1
  134.4 2.77 2
  134.5 5.34 5
  134.6 9.21 9
  134.7 14.71 14
  134.8 21.67 21
  134.9 28.53 28
  135.0 32.99 32
  135.1 33.82 33
  135.2 31.19 31
  135.3 25.4 25
  135.4 17.0 16
  135.5 8.0 7
  135.6 1.46 1
  142.3 0.47 0
  142.4 1.63 1
  142.5 3.75 3
  142.6 6.95 6
  142.7 11.53 11
  142.8 17.49 17
  142.9 23.66 23
  143.0 27.96 27
  143.1 29.0 28
  143.2 26.79 26
  143.3 21.81 21
  143.4 14.7 14
  143.5 7.11 7
  143.6 1.49 1
  158.6 1.93 1
  158.7 3.05 3
  158.8 4.45 4
  158.9 5.86 5
  159.0 6.76 6
  159.1 6.92 6
  159.2 6.47 6
  159.3 5.53 5
  159.4 4.05 4
  159.5 2.22 2
  170.4 1.5 1
  170.5 3.16 3
  170.6 5.93 5
  170.7 9.98 9
  170.8 14.86 14
  170.9 19.4 19
  171.0 22.57 22
  171.1 24.08 24
  171.2 23.8 23
  171.3 21.03 21
  171.4 15.32 15
  171.5 8.07 8
  171.6 2.1 2
  172.6 2.15 2
  172.7 3.49 3
  172.8 5.17 5
  172.9 7.03 7
  173.0 8.57 8
  173.1 9.29 9
  173.2 8.99 8
  173.3 7.69 7
  173.4 5.5 5
  173.5 2.91 2
  200.2 0.19 0
  200.3 1.77 1
  200.4 5.86 5
  200.5 12.99 12
  200.6 23.79 23
  200.7 38.96 38
  200.8 57.82 57
  200.9 77.05 76
  201.0 92.12 92
  201.1 100.0 99
  201.2 99.25 99
  201.3 87.92 87
  201.4 65.04 64
  201.5 35.61 35
  201.6 10.48 10
  201.7 0.0 0
//