MassBank Record: MSBNK-RIKEN_NPDepo-NGA01176
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01176
RECORD_TITLE: Nor-C-fluorocurarine; 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: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids, Curare alkaloids
CH$NAME: Nor-C-fluorocurarine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C19H20N2O
CH$EXACT_MASS: 292.3841
CH$SMILES: C/C=C1/CN2CCC34C(=C(C=O)[C@H]1CC23)Nc1ccccc14
CH$IUPAC: InChI=1S/C19H20N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13,17,20H,7-10H2,1H3/b12-2-/t13-,17?,19?/m0/s1
CH$LINK: CAS
6880-54-2
CH$LINK: CHEMSPIDER
4615646
CH$LINK: INCHIKEY
VFUITWPFKLGEQA-IJEMKVKBSA-N
AC$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$SPLASH: splash10-0006-0790000000-6eb5ed789e4e18df0221
PK$NUM_PEAK: 543
PK$PEAK: m/z int. rel.int.
55.7 2.8 2
55.8 4.34 4
55.9 6.18 6
56.0 7.9 7
56.1 8.92 8
56.2 8.76 8
56.3 7.31 7
56.4 4.94 4
56.5 2.41 2
67.7 2.41 2
67.8 4.04 4
67.9 5.65 5
68.0 6.45 6
68.1 6.37 6
68.2 5.8 5
68.3 4.86 4
68.4 3.42 3
94.8 3.43 3
94.9 5.11 5
95.0 6.98 6
95.1 8.39 8
95.2 8.69 8
95.3 7.57 7
95.4 5.22 5
95.5 2.53 2
107.7 2.47 2
107.8 4.52 4
107.9 7.14 7
108.0 9.02 9
108.1 9.45 9
108.2 8.67 8
108.3 7.15 7
108.4 5.13 5
129.5 2.67 2
129.6 4.21 4
129.7 8.04 8
129.8 13.55 13
129.9 18.66 18
130.0 21.41 21
130.1 21.52 21
130.2 19.94 19
130.3 17.2 17
130.4 13.19 13
130.5 8.43 8
143.5 5.14 5
143.6 6.48 6
143.7 9.79 9
143.8 15.01 14
143.9 20.65 20
144.0 24.62 24
144.1 26.01 25
144.2 25.25 25
144.3 22.44 22
144.4 17.0 16
144.5 9.57 9
144.6 2.89 2
153.7 2.59 2
153.8 4.13 4
153.9 5.88 5
154.0 7.33 7
154.1 7.93 7
154.2 7.42 7
154.3 6.06 6
154.4 4.29 4
155.6 3.24 3
155.7 5.52 5
155.8 9.08 9
155.9 12.58 12
156.0 14.8 14
156.1 15.41 15
156.2 14.52 14
156.3 12.01 11
156.4 8.11 8
156.5 3.94 3
157.6 4.49 4
157.7 7.44 7
157.8 12.47 12
157.9 18.24 18
158.0 22.53 22
158.1 24.02 23
158.2 23.13 23
158.3 20.73 20
158.4 16.7 16
158.5 10.89 10
158.6 4.81 4
161.7 2.23 2
161.8 4.0 3
161.9 5.81 5
162.0 7.2 7
162.1 7.92 7
162.2 7.79 7
162.3 6.59 6
162.4 4.46 4
162.5 2.12 2
166.5 3.21 3
166.6 4.71 4
166.7 7.23 7
166.8 11.07 11
166.9 15.5 15
167.0 18.8 18
167.1 19.74 19
167.2 18.83 18
167.3 17.24 17
167.6 13.24 13
167.7 19.06 19
167.8 30.92 30
167.9 44.6 44
168.0 54.54 54
168.1 58.69 58
168.2 58.61 58
168.3 54.8 54
168.4 45.14 45
168.5 29.97 29
168.6 15.52 15
168.8 11.48 11
168.9 18.26 18
169.0 23.94 23
169.1 26.19 26
169.2 25.39 25
169.3 22.37 22
169.4 17.31 17
169.5 10.98 10
169.8 5.65 5
169.9 8.81 8
170.0 11.62 11
170.1 13.04 13
170.2 12.77 12
170.3 11.13 11
170.6 6.94 6
170.7 10.22 10
170.8 16.43 16
170.9 23.47 23
171.0 28.79 28
171.1 31.0 30
171.2 30.28 30
171.3 27.18 27
171.4 21.55 21
171.5 13.83 13
171.6 6.54 6
179.4 2.76 2
179.5 5.1 5
179.6 9.74 9
179.7 17.47 17
179.8 27.79 27
179.9 38.4 38
180.0 46.27 46
180.1 49.49 49
180.2 47.88 47
180.3 41.74 41
180.4 31.46 31
180.5 19.28 19
180.6 9.72 9
180.8 8.84 8
180.9 13.52 13
181.0 17.19 17
181.1 18.71 18
181.2 18.51 18
181.3 17.2 17
181.4 14.79 14
181.7 9.07 9
181.8 12.65 12
181.9 17.39 17
182.0 20.94 20
182.1 22.77 22
182.2 23.36 23
182.3 22.19 22
182.4 18.09 18
182.5 11.73 11
182.8 5.57 5
182.9 8.7 8
183.0 11.62 11
183.1 13.32 13
183.2 13.4 13
183.3 11.73 11
183.4 8.6 8
183.8 5.39 5
183.9 8.02 8
184.0 10.15 10
184.1 11.31 11
184.2 11.38 11
184.3 10.23 10
184.4 7.77 7
184.5 4.47 4
185.4 2.85 2
185.5 4.23 4
185.6 6.19 6
185.7 10.19 10
185.8 17.1 17
185.9 25.4 25
186.0 32.27 32
186.1 36.11 36
186.2 36.64 36
186.3 33.17 33
186.4 24.94 24
186.5 13.74 13
186.6 4.02 4
190.6 1.49 1
190.7 2.86 2
190.8 4.97 4
190.9 7.18 7
191.0 8.58 8
191.1 8.6 8
191.2 7.45 7
191.3 5.78 5
191.7 4.18 4
191.8 7.47 7
191.9 10.75 10
192.0 12.28 12
192.1 11.95 11
192.2 10.91 10
192.3 9.82 9
192.4 8.22 8
192.5 5.85 5
192.8 4.42 4
192.9 6.34 6
193.0 7.92 7
193.1 8.75 8
193.2 8.91 8
193.3 8.45 8
193.7 6.77 6
193.8 11.53 11
193.9 17.26 17
194.0 21.09 21
194.1 21.73 21
194.2 20.34 20
194.3 18.32 18
194.4 15.36 15
194.5 10.94 10
194.8 4.76 4
194.9 7.32 7
195.0 9.8 9
195.1 11.14 11
195.2 11.21 11
195.3 10.23 10
195.4 8.35 8
195.7 6.36 6
195.8 10.02 10
195.9 14.47 14
196.0 18.21 18
196.1 20.55 20
196.2 21.18 21
196.3 19.64 19
196.4 15.68 15
196.5 10.06 10
196.6 4.8 4
198.4 5.27 5
198.5 6.81 6
198.6 8.63 8
198.7 12.84 12
198.8 21.08 21
198.9 31.62 31
199.0 40.36 40
199.1 44.7 44
199.2 44.48 44
199.3 39.69 39
199.4 29.89 29
199.5 16.9 16
199.6 5.54 5
203.6 2.06 2
203.7 3.92 3
203.8 5.83 5
203.9 7.06 7
204.0 7.61 7
204.1 7.82 7
204.2 7.75 7
204.3 7.17 7
204.7 3.86 3
204.8 6.94 6
204.9 11.47 11
205.0 15.31 15
205.1 17.01 16
205.2 16.75 16
205.3 15.13 15
205.4 12.24 12
205.7 6.07 6
205.8 9.38 9
205.9 14.71 14
206.0 20.24 20
206.1 23.85 23
206.2 24.18 24
206.3 21.53 21
206.4 17.17 17
206.5 12.29 12
206.7 8.27 8
206.8 12.11 12
206.9 18.23 18
207.0 23.6 23
207.1 26.42 26
207.2 26.63 26
207.3 24.67 24
207.4 20.77 20
207.5 15.71 15
207.7 11.91 11
207.8 17.12 17
207.9 25.25 25
208.0 32.55 32
208.1 36.52 36
208.2 36.74 36
208.3 33.3 33
208.4 26.09 26
208.5 16.42 16
208.6 8.09 8
208.8 6.78 6
208.9 11.02 11
209.0 14.34 14
209.1 15.64 15
209.2 15.38 15
209.3 14.05 14
209.4 11.68 11
209.7 7.12 7
209.8 9.77 9
209.9 14.11 14
210.0 19.03 19
210.1 22.89 22
210.2 24.1 24
210.3 22.0 21
210.4 17.04 17
210.5 10.6 10
210.6 4.86 4
216.5 2.4 2
216.6 3.49 3
216.7 5.04 5
216.8 7.41 7
216.9 10.14 10
217.0 12.06 12
217.1 12.63 12
217.2 12.44 12
217.3 11.65 11
217.4 9.58 9
217.7 4.62 4
217.8 7.58 7
217.9 11.21 11
218.0 13.99 13
218.1 15.37 15
218.2 15.32 15
218.3 13.8 13
218.4 10.87 10
218.7 5.75 5
218.8 9.61 9
218.9 15.13 15
219.0 20.09 20
219.1 22.92 22
219.2 23.23 23
219.3 21.21 21
219.4 17.19 17
219.6 10.19 10
219.7 13.33 13
219.8 22.3 22
219.9 34.1 34
220.0 44.32 44
220.1 49.64 49
220.2 49.1 49
220.3 43.43 43
220.4 33.63 33
220.5 21.36 21
220.6 10.21 10
220.8 5.34 5
220.9 10.33 10
221.0 15.19 15
221.1 17.46 17
221.2 17.28 17
221.3 16.01 15
221.6 11.7 11
221.7 14.62 14
221.8 23.4 23
221.9 36.15 36
222.0 48.11 48
222.1 55.58 55
222.2 57.21 57
222.3 52.1 52
222.4 39.7 39
222.5 22.95 22
222.6 8.54 8
230.7 2.04 2
230.8 3.57 3
230.9 5.04 5
231.0 6.01 6
231.1 6.45 6
231.2 6.63 6
231.3 6.64 6
231.4 6.18 6
231.5 5.1 5
231.6 4.18 4
231.7 4.75 4
231.8 7.43 7
231.9 11.55 11
232.0 15.5 15
232.1 17.78 17
232.2 17.97 17
232.3 16.45 16
232.4 13.44 13
232.5 9.33 9
232.8 7.16 7
232.9 10.84 10
233.0 13.77 13
233.1 15.02 15
233.2 14.96 14
233.3 14.18 14
233.4 12.46 12
233.5 9.44 9
233.8 6.5 6
233.9 9.7 9
234.0 12.18 12
234.1 13.04 13
234.2 12.84 12
234.3 12.07 12
234.4 10.55 10
234.8 7.38 7
234.9 10.82 10
235.0 14.37 14
235.1 16.98 16
235.2 18.07 18
235.3 17.15 17
235.4 14.1 14
235.5 9.94 9
235.7 6.98 6
235.8 10.23 10
235.9 15.06 15
236.0 19.71 19
236.1 23.0 22
236.2 24.24 24
236.3 23.29 23
236.4 20.12 20
236.5 14.9 14
236.6 8.94 8
237.8 6.4 6
237.9 9.42 9
238.0 12.4 12
238.1 14.33 14
238.2 14.85 14
238.3 13.98 13
238.4 11.58 11
238.5 7.85 7
238.6 4.09 4
238.9 3.37 3
239.0 4.99 4
239.1 6.35 6
239.2 7.13 7
239.3 7.03 7
239.4 5.85 5
239.5 3.81 3
245.7 4.25 4
245.8 6.91 6
245.9 9.82 9
246.0 11.88 11
246.1 12.68 12
246.2 12.72 12
246.3 12.25 12
246.4 10.62 10
246.5 7.51 7
247.7 5.28 5
247.8 7.76 7
247.9 11.15 11
248.0 14.54 14
248.1 17.08 17
248.2 18.22 18
248.3 17.5 17
248.4 14.48 14
248.5 9.61 9
248.9 5.34 5
249.0 7.02 7
249.1 8.31 8
249.2 9.24 9
249.3 9.46 9
249.4 8.64 8
249.5 7.08 7
249.6 6.05 6
249.7 7.17 7
249.8 11.26 11
249.9 17.35 17
250.0 22.94 22
250.1 25.71 25
250.2 25.15 25
250.3 22.14 22
250.4 17.29 17
250.5 11.02 11
250.6 5.01 5
250.8 2.57 2
250.9 5.67 5
251.0 8.77 8
251.1 10.65 10
251.2 11.25 11
251.3 10.58 10
251.4 8.44 8
251.5 5.16 5
251.6 1.97 1
259.8 2.24 2
259.9 3.78 3
260.0 4.95 4
260.1 5.33 5
260.2 4.99 4
260.3 4.16 4
262.8 2.02 2
262.9 3.55 3
263.0 4.96 4
263.1 5.49 5
263.2 5.13 5
263.3 4.53 4
263.4 3.99 3
263.5 3.25 3
263.6 2.66 2
263.7 3.38 3
263.8 5.95 5
263.9 9.51 9
264.0 12.55 12
264.1 14.21 14
264.2 14.36 14
264.3 13.1 13
264.4 10.68 10
264.7 5.4 5
264.8 8.1 8
264.9 12.54 12
265.0 16.67 16
265.1 19.04 19
265.2 19.47 19
265.3 18.18 18
265.4 14.86 14
265.5 9.57 9
265.6 3.95 3
274.8 3.25 3
274.9 4.88 4
275.0 6.63 6
275.1 8.0 7
275.2 8.66 8
275.3 8.35 8
275.4 6.91 6
275.5 4.56 4
292.3 1.55 1
292.4 3.48 3
292.5 6.23 6
292.6 9.88 9
292.7 16.93 16
292.8 31.39 31
292.9 53.8 53
293.0 77.91 77
293.1 94.72 94
293.2 100.0 99
293.3 94.92 94
293.4 80.26 80
293.5 56.02 55
293.6 27.48 27
293.7 5.35 5
293.8 0.0 0
//
system version 2.2.8-SNAPSHOT
