MassBank Record: MSBNK-RIKEN_NPDepo-NGA00304
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00304
RECORD_TITLE: Vincanidine; 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: Formula(Parent): C19H20N2O2
COMMENT: Bottle Name:Vincanidine
COMMENT: PRIME Parent Name:Vincanidine
COMMENT: PRIME in-house No.:V0312
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
CH$NAME: (11S,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo(9.5.2.0(1,9).0(2,7).0(14,17))octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
CH$NAME: Vincanidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C19H20N2O2
CH$EXACT_MASS: 308.3835
CH$SMILES: C/C=C1/CN2CCC34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14
CH$IUPAC: InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19?/m0/s1
CH$LINK: CAS
1630-41-7
CH$LINK: INCHIKEY
JDOFCMASVRMYJU-PCKYSSEZSA-N
AC$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$SPLASH: splash10-0a4i-0491000000-e9df1c64102f10bd0257
PK$NUM_PEAK: 472
PK$PEAK: m/z int. rel.int.
67.7 2.63 2
67.8 3.82 3
67.9 4.85 4
68.0 5.51 5
68.1 5.55 5
68.2 4.86 4
68.3 3.55 3
94.8 2.94 2
94.9 4.63 4
95.0 6.12 6
95.1 6.65 6
95.2 6.1 6
95.3 4.93 4
95.4 3.57 3
107.7 2.39 2
107.8 4.31 4
107.9 6.51 6
108.0 8.09 8
108.1 8.53 8
108.2 7.89 7
108.3 6.42 6
108.4 4.34 4
121.7 2.22 2
121.8 3.9 3
121.9 5.81 5
122.0 7.4 7
122.1 8.17 8
122.2 7.73 7
122.3 5.98 5
122.4 3.49 3
145.5 3.06 3
145.6 5.31 5
145.7 9.07 9
145.8 13.6 13
145.9 17.27 17
146.0 19.0 18
146.1 19.02 19
146.2 17.81 17
146.3 14.97 14
146.4 10.19 10
146.5 4.9 4
146.8 3.08 3
146.9 5.27 5
147.0 6.7 6
147.1 7.01 7
147.2 6.38 6
147.3 5.17 5
147.4 3.61 3
159.6 3.34 3
159.7 6.23 6
159.8 11.29 11
159.9 17.03 17
160.0 21.34 21
160.1 22.92 22
160.2 21.65 21
160.3 17.91 17
160.4 12.28 12
160.5 6.18 6
160.6 1.6 1
161.7 2.92 2
161.8 4.38 4
161.9 5.9 5
162.0 7.05 7
162.1 7.47 7
162.2 7.02 7
162.3 5.71 5
162.4 3.75 3
171.7 3.5 3
171.8 5.34 5
171.9 7.23 7
172.0 8.61 8
172.1 9.24 9
172.2 9.27 9
172.3 8.69 8
172.4 7.1 7
172.5 4.53 4
173.6 3.87 3
173.7 6.09 6
173.8 9.8 9
173.9 14.26 14
174.0 17.99 17
174.1 19.7 19
174.2 18.86 18
174.3 15.52 15
174.4 10.37 10
174.5 4.91 4
182.6 2.71 2
182.7 4.93 4
182.8 8.55 8
182.9 12.84 12
183.0 16.5 16
183.1 18.4 18
183.2 18.32 18
183.3 16.72 16
183.4 13.93 13
183.6 9.25 9
183.7 12.23 12
183.8 19.88 19
183.9 29.17 29
184.0 36.35 36
184.1 39.66 39
184.2 39.15 39
184.3 34.89 34
184.4 26.84 26
184.5 16.69 16
184.8 9.33 9
184.9 15.42 15
185.0 20.64 20
185.1 23.06 23
185.2 22.44 22
185.3 19.3 19
185.4 14.31 14
185.5 8.64 8
185.8 4.24 4
185.9 6.72 6
186.0 8.35 8
186.1 8.64 8
186.2 8.14 8
186.3 7.29 7
186.6 4.09 4
186.7 6.02 6
186.8 10.34 10
186.9 15.32 15
187.0 18.85 18
187.1 20.01 19
187.2 19.05 19
187.3 16.3 16
187.4 11.98 11
187.5 7.08 7
187.8 3.85 3
187.9 5.7 5
188.0 6.98 6
188.1 7.36 7
188.2 6.82 6
188.3 5.36 5
188.4 3.24 3
195.5 3.23 3
195.6 4.67 4
195.7 7.85 7
195.8 13.09 13
195.9 19.36 19
196.0 24.86 24
196.1 28.17 28
196.2 28.56 28
196.3 25.59 25
196.4 19.31 19
196.5 11.42 11
196.8 5.39 5
196.9 9.5 9
197.0 13.23 13
197.1 15.34 15
197.2 15.32 15
197.3 13.05 13
197.4 9.18 9
197.7 3.99 3
197.8 7.01 7
197.9 10.88 10
198.0 14.27 14
198.1 16.23 16
198.2 16.07 16
198.3 13.58 13
198.4 9.45 9
198.5 5.24 5
198.8 3.74 3
198.9 6.45 6
199.0 8.88 8
199.1 9.85 9
199.2 9.11 9
199.3 7.42 7
199.4 5.63 5
199.8 4.57 4
199.9 7.19 7
200.0 9.48 9
200.1 10.45 10
200.2 10.0 9
200.3 8.31 8
200.4 5.64 5
200.5 2.71 2
201.4 2.98 2
201.5 4.0 3
201.6 6.09 6
201.7 10.77 10
201.8 18.59 18
201.9 27.43 27
202.0 33.86 33
202.1 36.1 36
202.2 34.68 34
202.3 30.12 30
202.4 22.14 22
202.5 12.0 11
202.6 3.38 3
206.7 1.97 1
206.8 3.68 3
206.9 5.57 5
207.0 7.04 7
207.1 7.66 7
207.2 7.24 7
207.3 5.91 5
209.6 2.97 2
209.7 4.6 4
209.8 7.4 7
209.9 10.69 10
210.0 13.61 13
210.1 15.46 15
210.2 15.65 15
210.3 13.77 13
210.4 10.08 10
210.5 5.82 5
211.7 5.12 5
211.8 7.67 7
211.9 11.01 10
212.0 13.59 13
212.1 14.56 14
212.2 14.06 14
212.3 12.28 12
212.4 9.21 9
212.5 5.39 5
214.4 4.74 4
214.5 6.09 6
214.6 8.06 8
214.7 12.2 12
214.8 19.58 19
214.9 28.54 28
215.0 35.23 35
215.1 37.06 37
215.2 34.44 34
215.3 28.8 28
215.4 20.68 20
215.5 11.16 11
215.6 3.13 3
219.7 1.8 1
219.8 3.36 3
219.9 4.91 4
220.0 5.84 5
220.1 5.93 5
220.2 5.44 5
220.3 4.73 4
220.4 3.91 3
220.5 3.07 3
220.6 2.78 2
220.7 3.66 3
220.8 5.65 5
220.9 7.92 7
221.0 9.72 9
221.1 10.76 10
221.2 10.89 10
221.3 9.74 9
221.4 7.27 7
221.7 3.75 3
221.8 6.44 6
221.9 9.39 9
222.0 11.48 11
222.1 12.45 12
222.2 12.35 12
222.3 11.08 11
222.4 8.72 8
222.7 4.82 4
222.8 7.59 7
222.9 11.08 11
223.0 13.72 13
223.1 14.96 14
223.2 14.81 14
223.3 13.13 13
223.4 10.0 9
223.7 6.04 6
223.8 10.32 10
223.9 15.96 15
224.0 20.81 20
224.1 23.43 23
224.2 23.38 23
224.3 20.64 20
224.4 15.51 15
224.5 9.3 9
224.8 3.65 3
224.9 6.32 6
225.0 8.71 8
225.1 9.92 9
225.2 9.84 9
225.3 8.63 8
225.4 6.56 6
225.7 3.6 3
225.8 6.19 6
225.9 9.92 9
226.0 13.51 13
226.1 15.72 15
226.2 15.75 15
226.3 13.53 13
226.4 9.66 9
226.5 5.26 5
232.7 2.41 2
232.8 3.66 3
232.9 5.21 5
233.0 6.68 6
233.1 7.58 7
233.2 7.62 7
233.3 6.74 6
233.4 5.08 5
233.7 2.99 2
233.8 4.94 4
233.9 7.12 7
234.0 8.83 8
234.1 9.75 9
234.2 9.62 9
234.3 8.32 8
234.7 5.04 5
234.8 8.11 8
234.9 11.83 11
235.0 14.82 14
235.1 16.4 16
235.2 16.43 16
235.3 14.77 14
235.4 11.64 11
235.6 7.39 7
235.7 10.03 10
235.8 16.33 16
235.9 24.47 24
236.0 31.69 31
236.1 35.66 35
236.2 35.32 35
236.3 30.57 30
236.4 22.19 22
236.5 12.59 12
236.8 5.48 5
236.9 9.64 9
237.0 13.22 13
237.1 14.99 14
237.2 14.89 14
237.3 13.4 13
237.6 7.47 7
237.7 10.68 10
237.8 17.66 17
237.9 25.62 25
238.0 31.57 31
238.1 34.46 34
238.2 34.4 34
238.3 30.95 30
238.4 23.56 23
238.5 13.75 13
238.6 5.27 5
247.7 3.46 3
247.8 5.74 5
247.9 9.01 9
248.0 11.89 11
248.1 13.22 13
248.2 12.76 12
248.3 10.84 10
248.4 7.89 7
248.7 3.19 3
248.8 5.79 5
248.9 8.97 8
249.0 11.07 11
249.1 11.43 11
249.2 10.48 10
249.3 8.95 8
249.4 7.13 7
249.8 4.45 4
249.9 6.91 6
250.0 9.24 9
250.1 10.49 10
250.2 10.25 10
250.3 8.67 8
250.4 6.32 6
250.7 2.8 2
250.8 4.94 4
250.9 8.37 8
251.0 11.54 11
251.1 13.0 12
251.2 12.46 12
251.3 10.57 10
251.4 7.95 7
251.7 4.59 4
251.8 8.85 8
251.9 14.48 14
252.0 18.84 18
252.1 20.56 20
252.2 19.88 19
252.3 17.46 17
252.4 13.65 13
252.5 8.97 8
252.6 4.67 4
252.9 3.6 3
253.0 5.87 5
253.1 7.61 7
253.2 8.22 8
253.3 7.71 7
253.4 6.33 6
253.7 3.55 3
253.8 6.06 6
253.9 9.87 9
254.0 13.09 13
254.1 14.44 14
254.2 13.84 13
254.3 11.64 11
254.4 8.23 8
254.5 4.5 4
261.7 3.46 3
261.8 5.97 5
261.9 8.99 8
262.0 11.57 11
262.1 13.0 12
262.2 12.86 12
262.3 10.9 10
262.4 7.5 7
262.5 3.94 3
263.7 4.99 4
263.8 7.46 7
263.9 10.68 10
264.0 14.15 14
264.1 17.24 17
264.2 18.78 18
264.3 17.5 17
264.4 13.23 13
264.5 7.52 7
265.7 5.44 5
265.8 9.66 9
265.9 15.28 15
266.0 20.17 20
266.1 22.49 22
266.2 21.71 21
266.3 18.37 18
266.4 13.31 13
266.5 7.65 7
266.8 2.67 2
266.9 4.97 4
267.0 6.86 6
267.1 7.69 7
267.2 7.56 7
267.3 6.7 6
267.4 5.16 5
267.5 3.11 3
279.7 3.93 3
279.8 5.67 5
279.9 8.18 8
280.0 10.78 10
280.1 12.48 12
280.2 12.72 12
280.3 11.64 11
280.4 9.56 9
280.5 6.85 6
280.8 5.45 5
280.9 9.41 9
281.0 13.78 13
281.1 17.08 17
281.2 18.8 18
281.3 18.65 18
281.4 15.95 15
281.5 10.66 10
281.6 4.66 4
290.7 1.97 1
290.8 3.48 3
290.9 5.56 5
291.0 7.62 7
291.1 9.15 9
291.2 9.79 9
291.3 9.03 9
291.4 6.67 6
291.5 3.57 3
308.3 2.02 2
308.4 4.21 4
308.5 6.88 6
308.6 9.85 9
308.7 15.4 15
308.8 27.87 27
308.9 48.88 48
309.0 73.32 73
309.1 92.42 92
309.2 100.0 99
309.3 94.2 94
309.4 75.47 75
309.5 47.7 47
309.6 19.95 19
309.7 1.94 1
//
system version 2.2.8-SNAPSHOT
