MassBank Record: MSBNK-RIKEN_NPDepo-NGA02520
ACCESSION: MSBNK-RIKEN_NPDepo-NGA02520
RECORD_TITLE: Oxymatrine; 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, Quinolizidine alkaloids, Sophora alkaloid
CH$NAME: Oxymatrine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C15H24N2O2
CH$EXACT_MASS: 264.3707
CH$SMILES: O=C1CCC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34
CH$IUPAC: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
CH$LINK: CAS
16837-52-8
CH$LINK: CHEMSPIDER
102808
CH$LINK: INCHIKEY
XVPBINOPNYFXID-LHDUFFHYSA-N
CH$LINK: COMPTOX
DTXSID40937482
CH$LINK: PUBCHEM
CID:114850
AC$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$SPLASH: splash10-014i-0490000000-357d47404470c18df1cd
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
97.6 2.45 2
97.7 4.08 4
97.8 6.17 6
97.9 8.32 8
98.0 9.99 9
98.1 10.73 10
98.2 10.4 10
98.3 9.03 9
98.4 6.67 6
98.5 3.72 3
135.5 2.74 2
135.6 4.28 4
135.7 6.84 6
135.8 10.96 10
135.9 15.92 15
136.0 19.75 19
136.1 21.04 21
136.2 20.05 20
136.3 17.71 17
136.4 14.28 14
136.5 9.98 9
136.8 5.92 5
136.9 8.58 8
137.0 11.01 10
137.1 12.25 12
137.2 12.14 12
137.3 10.89 10
137.4 8.73 8
137.5 5.93 5
137.6 3.08 3
147.4 1.52 1
147.5 3.34 3
147.6 6.06 6
147.7 10.04 10
147.8 15.17 15
147.9 20.55 20
148.0 24.96 24
148.1 27.53 27
148.2 27.8 27
148.3 25.35 25
148.4 19.99 19
148.5 12.61 12
148.6 5.6 5
149.6 3.38 3
149.7 5.35 5
149.8 8.11 8
149.9 11.11 11
150.0 13.73 13
150.1 15.46 15
150.2 15.88 15
150.3 14.61 14
150.4 11.52 11
150.5 7.22 7
150.6 3.15 3
161.8 4.12 4
161.9 5.55 5
162.0 6.71 6
162.1 7.46 7
162.2 7.79 7
162.3 7.48 7
162.4 6.1 6
162.5 3.78 3
175.6 2.37 2
175.7 3.64 3
175.8 5.31 5
175.9 7.13 7
176.0 8.69 8
176.1 9.71 9
176.2 10.1 10
176.3 9.6 9
176.4 7.95 7
176.5 5.5 5
204.4 2.4 2
204.5 3.98 3
204.6 6.07 6
204.7 9.29 9
204.8 16.06 16
204.9 27.39 27
205.0 39.66 39
205.1 47.48 47
205.2 49.01 48
205.3 45.56 45
205.4 37.67 37
205.5 25.61 25
205.6 12.74 12
205.7 4.21 4
205.9 3.67 3
206.0 5.91 5
206.1 7.28 7
206.2 7.86 7
206.3 7.78 7
206.4 6.83 6
206.5 4.94 4
206.6 2.64 2
218.8 2.26 2
218.9 3.41 3
219.0 4.63 4
219.1 5.54 5
219.2 5.81 5
219.3 5.32 5
219.4 4.17 4
246.4 1.0 0
246.5 2.47 2
246.6 5.09 5
246.7 9.66 9
246.8 16.7 16
246.9 25.13 25
247.0 32.46 32
247.1 36.73 36
247.2 37.86 37
247.3 36.63 36
247.4 32.65 32
247.5 24.9 24
247.6 14.62 14
247.7 5.75 5
264.3 0.87 0
264.4 2.37 2
264.5 6.03 6
264.6 12.12 12
264.7 21.15 21
264.8 34.67 34
264.9 53.33 53
265.0 74.01 73
265.1 90.83 90
265.2 99.74 99
265.3 100.0 99
265.4 90.64 90
265.5 69.75 69
265.6 40.45 40
265.7 13.35 13
265.8 0.0 0
//