MassBank Record: MSBNK-RIKEN_NPDepo-NGA02816
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
//
system version 2.2.8-SNAPSHOT