MassBank Record: MSBNK-RIKEN_NPDepo-NGA03168
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03168
RECORD_TITLE: Strophanthidinic acid; 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, Cardanolides
CH$NAME: Strophanthidinic acid
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C23H32O7
CH$EXACT_MASS: 420.5073
CH$SMILES: C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C(=O)O)C1(O)CCC2C1=CC(=O)OC1
CH$IUPAC: InChI=1S/C23H32O7/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27)/t14?,15?,16?,17?,20-,21?,22-,23?/m1/s1
CH$LINK: CAS
508-64-5
CH$LINK: CHEMSPIDER
107751
CH$LINK: INCHIKEY
XJIILRFVONGQOG-BNUXJICCSA-N
AC$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$SPLASH: splash10-00dr-0935000000-a111bab89c7a7cf45c99
PK$NUM_PEAK: 609
PK$PEAK: m/z int. rel.int.
104.5 1.42 1
104.6 2.56 2
104.7 4.05 4
104.8 5.45 5
104.9 6.02 6
105.0 5.41 5
105.1 4.1 4
108.2 1.06 1
108.3 3.05 3
108.4 5.39 5
108.5 6.95 6
108.6 7.62 7
108.7 8.53 8
108.8 10.6 10
108.9 13.26 13
109.0 15.23 15
109.1 15.92 15
109.2 15.34 15
109.3 13.07 13
109.4 8.83 8
109.5 4.02 4
116.7 1.84 1
116.8 3.48 3
116.9 4.95 4
117.0 5.26 5
117.1 4.14 4
117.2 2.37 2
118.5 1.37 1
118.6 3.03 3
118.7 5.31 5
118.8 7.43 7
118.9 8.48 8
119.0 8.24 8
119.1 7.46 7
119.2 6.85 6
119.3 6.16 6
119.4 4.68 4
119.5 2.52 2
124.3 2.18 2
124.4 3.74 3
124.5 5.31 5
124.6 6.8 6
124.7 8.85 8
124.8 11.74 11
124.9 14.72 14
125.0 16.78 16
125.1 17.11 17
125.2 14.88 14
125.3 10.04 10
125.4 4.4 4
125.5 0.68 0
132.5 0.87 0
132.6 2.14 2
132.7 4.37 4
132.8 7.17 7
132.9 9.29 9
133.0 9.38 9
133.1 7.56 7
133.2 5.31 5
133.3 3.61 3
133.4 2.27 2
136.5 1.2 1
136.6 2.45 2
136.7 4.47 4
136.8 6.71 6
136.9 8.45 8
137.0 9.38 9
137.1 9.61 9
137.2 8.96 8
137.3 7.06 7
137.4 4.14 4
137.5 1.54 1
140.6 1.83 1
140.7 2.97 2
140.8 4.53 4
140.9 5.96 5
141.0 6.33 6
141.1 5.18 5
141.2 3.1 3
142.7 3.23 3
142.8 4.81 4
142.9 7.58 7
143.0 10.25 10
143.1 10.92 10
143.2 8.9 8
143.3 5.31 5
143.4 2.05 2
144.5 2.92 2
144.6 4.12 4
144.7 6.24 6
144.8 9.87 9
144.9 14.17 14
145.0 17.1 17
145.1 17.59 17
145.2 16.31 16
145.3 14.09 14
145.4 10.86 10
145.5 6.69 6
145.6 2.75 2
146.9 2.4 2
147.0 3.92 3
147.1 5.61 5
147.2 6.18 6
147.3 4.86 4
147.4 2.45 2
152.3 0.77 0
152.4 2.06 2
152.5 4.0 3
152.6 7.04 7
152.7 12.65 12
152.8 22.39 22
152.9 34.78 34
153.0 44.54 44
153.1 46.91 46
153.2 41.87 41
153.3 32.65 32
153.4 21.85 21
153.5 11.18 11
153.6 3.27 3
154.2 1.36 1
154.3 2.61 2
154.4 3.82 3
154.5 5.9 5
154.6 11.04 11
154.7 20.25 20
154.8 30.68 30
154.9 37.49 37
155.0 38.87 38
155.1 37.44 37
155.2 35.83 35
155.3 32.7 32
155.4 25.12 25
155.5 13.92 13
155.6 3.99 3
156.6 1.9 1
156.7 3.56 3
156.8 5.79 5
156.9 7.85 7
157.0 8.69 8
157.1 7.72 7
157.2 5.3 5
157.3 2.58 2
158.5 1.73 1
158.6 3.35 3
158.7 6.02 6
158.8 9.18 9
158.9 12.21 12
159.0 14.6 14
159.1 15.26 15
159.2 13.05 13
159.3 8.38 8
159.4 3.54 3
162.4 0.74 0
162.5 1.96 1
162.6 3.76 3
162.7 5.53 5
162.8 6.6 6
162.9 6.75 6
163.0 6.22 6
163.1 5.36 5
163.2 4.18 4
163.3 2.71 2
166.6 0.46 0
166.7 1.62 1
166.8 3.79 3
166.9 6.18 6
167.0 7.37 7
167.1 6.51 6
167.2 4.21 4
167.3 1.85 1
168.4 1.69 1
168.5 2.91 2
168.6 5.08 5
168.7 8.01 8
168.8 11.25 11
168.9 14.19 14
169.0 16.31 16
169.1 17.16 17
169.2 16.05 16
169.3 12.6 12
169.4 7.65 7
169.5 3.18 3
170.3 1.38 1
170.4 2.68 2
170.5 4.43 4
170.6 6.67 6
170.7 9.26 9
170.8 11.97 11
170.9 15.14 15
171.0 19.1 19
171.1 22.46 22
171.2 22.44 22
171.3 17.83 17
171.4 10.55 10
171.5 4.05 4
172.4 1.29 1
172.5 2.59 2
172.6 4.25 4
172.7 5.92 5
172.8 7.24 7
172.9 7.88 7
173.0 7.66 7
173.1 6.81 6
173.2 5.85 5
173.3 4.93 4
173.4 3.75 3
173.5 2.24 2
174.6 1.07 1
174.7 2.89 2
174.8 5.61 5
174.9 7.75 7
175.0 7.75 7
175.1 5.72 5
175.2 3.29 3
180.4 1.24 1
180.5 2.65 2
180.6 4.04 4
180.7 4.56 4
180.8 4.13 4
180.9 3.69 3
181.0 4.23 4
181.1 5.55 5
181.2 6.38 6
181.3 5.65 5
181.4 3.62 3
182.5 1.06 1
182.6 2.69 2
182.7 6.01 6
182.8 10.36 10
182.9 14.16 14
183.0 16.08 16
183.1 15.83 15
183.2 13.7 13
183.3 10.15 10
183.4 6.08 6
183.5 2.72 2
184.2 1.0 0
184.3 2.34 2
184.4 6.89 6
184.5 13.79 13
184.6 21.2 21
184.7 29.49 29
184.8 41.45 41
184.9 57.45 57
185.0 72.8 72
185.1 81.6 81
185.2 80.88 80
185.3 70.08 70
185.4 50.41 50
185.5 26.85 26
185.6 7.86 7
185.7 0.0 0
186.6 2.17 2
186.7 3.38 3
186.8 4.85 4
186.9 6.34 6
187.0 7.94 7
187.1 9.36 9
187.2 9.49 9
187.3 7.56 7
187.4 4.34 4
187.5 1.54 1
194.6 1.49 1
194.7 2.74 2
194.8 4.62 4
194.9 7.53 7
195.0 11.32 11
195.1 14.33 14
195.2 14.34 14
195.3 10.88 10
195.4 5.96 5
195.5 2.29 2
196.4 1.73 1
196.5 3.44 3
196.6 6.12 6
196.7 9.61 9
196.8 13.06 13
196.9 15.78 15
197.0 17.97 17
197.1 19.87 19
197.2 20.23 20
197.3 17.2 17
197.4 11.01 10
197.5 4.5 4
197.6 0.81 0
198.5 1.99 1
198.6 4.63 4
198.7 10.93 10
198.8 19.44 19
198.9 26.62 26
199.0 30.87 30
199.1 33.3 33
199.2 33.69 33
199.3 29.31 29
199.4 19.6 19
199.5 8.79 8
199.6 1.83 1
202.6 1.55 1
202.7 2.63 2
202.8 4.48 4
202.9 6.33 6
203.0 6.91 6
203.1 5.79 5
203.2 3.88 3
208.6 1.98 1
208.7 3.1 3
208.8 4.28 4
208.9 5.6 5
209.0 7.08 7
209.1 8.32 8
209.2 8.59 8
209.3 7.37 7
209.4 4.96 4
209.5 2.41 2
210.2 1.32 1
210.3 2.62 2
210.4 3.75 3
210.5 4.01 4
210.6 3.3 3
210.7 2.44 2
210.8 2.38 2
210.9 3.19 3
211.0 4.07 4
211.1 4.34 4
211.2 3.94 3
211.3 3.15 3
214.7 3.45 3
214.8 4.74 4
214.9 6.67 6
215.0 8.29 8
215.1 8.39 8
215.2 6.84 6
215.3 4.8 4
215.4 3.27 3
216.5 1.07 1
216.6 2.17 2
216.7 4.03 4
216.8 6.09 6
216.9 7.24 7
217.0 6.92 6
217.1 5.76 5
217.2 4.62 4
217.3 3.47 3
218.6 0.76 0
218.7 2.37 2
218.8 4.71 4
218.9 6.44 6
219.0 6.43 6
219.1 5.09 5
220.7 3.82 3
220.8 4.92 4
220.9 7.31 7
221.0 9.92 9
221.1 10.6 10
221.2 8.49 8
221.3 4.91 4
221.4 1.87 1
222.7 1.02 1
222.8 2.6 2
222.9 4.7 4
223.0 5.94 5
223.1 5.37 5
223.2 3.52 3
232.4 1.09 1
232.5 2.4 2
232.6 3.98 3
232.7 5.0 4
232.8 4.93 4
232.9 4.12 4
233.0 3.43 3
233.1 3.29 3
233.2 3.37 3
233.3 3.09 3
233.4 2.27 2
233.5 1.25 1
233.6 0.52 0
233.7 0.25 0
233.8 0.26 0
233.9 0.31 0
234.0 0.28 0
234.1 0.23 0
234.2 0.29 0
234.3 0.63 0
234.4 1.26 1
234.5 2.09 2
234.6 2.95 2
234.7 3.72 3
234.8 4.93 4
234.9 7.64 7
235.0 11.35 11
235.1 13.81 13
235.2 13.01 12
235.3 9.41 9
235.4 5.26 5
235.5 2.32 2
236.7 1.44 1
236.8 3.88 3
236.9 8.16 8
237.0 12.49 12
237.1 13.95 13
237.2 11.37 11
237.3 6.67 6
237.4 2.79 2
248.9 4.25 4
249.0 5.23 5
249.1 6.53 6
249.2 7.35 7
249.3 6.57 6
249.4 4.15 4
249.5 1.51 1
250.6 1.85 1
250.7 2.95 2
250.8 4.0 3
250.9 5.19 5
251.0 6.39 6
251.1 6.75 6
251.2 5.56 5
251.3 3.34 3
260.5 2.97 2
260.6 4.09 4
260.7 6.29 6
260.8 8.71 8
260.9 10.03 10
261.0 10.92 10
261.1 13.56 13
261.2 17.54 17
261.3 18.65 18
261.4 14.0 13
261.5 6.3 6
261.6 0.71 0
262.8 2.67 2
262.9 3.9 3
263.0 6.02 6
263.1 7.95 7
263.2 7.93 7
263.3 5.62 5
263.4 2.57 2
274.4 0.38 0
274.5 1.6 1
274.6 4.73 4
274.7 9.48 9
274.8 15.04 15
274.9 20.73 20
275.0 25.87 25
275.1 28.95 28
275.2 27.72 27
275.3 21.3 21
275.4 11.98 11
275.5 4.12 4
276.6 1.28 1
276.7 2.98 2
276.8 5.21 5
276.9 8.09 8
277.0 11.54 11
277.1 14.5 14
277.2 15.47 15
277.3 13.97 13
277.4 10.7 10
277.5 6.72 6
277.6 3.13 3
278.7 1.41 1
278.8 2.73 2
278.9 5.08 5
279.0 8.86 8
279.1 13.44 13
279.2 16.56 16
279.3 15.72 15
279.4 10.73 10
279.5 4.68 4
279.6 0.7 0
284.9 1.82 1
285.0 2.79 2
285.1 4.22 4
285.2 6.06 6
285.3 7.17 7
285.4 6.21 6
285.5 3.51 3
292.4 1.9 1
292.5 3.28 3
292.6 4.49 4
292.7 5.87 5
292.8 8.1 8
292.9 10.82 10
293.0 12.7 12
293.1 13.78 13
293.2 16.0 15
293.3 19.78 19
293.4 21.66 21
293.5 17.97 17
293.6 9.89 9
293.7 2.62 2
294.7 1.93 1
294.8 3.34 3
294.9 4.95 4
295.0 6.45 6
295.1 7.37 7
295.2 7.1 7
295.3 5.4 5
295.4 2.94 2
302.3 1.47 1
302.4 2.57 2
302.5 3.93 3
302.6 5.7 5
302.7 8.84 8
302.8 13.87 13
302.9 20.29 20
303.0 26.36 26
303.1 30.19 30
303.2 30.06 30
303.3 24.69 24
303.4 15.01 14
303.5 5.24 5
303.6 0.1 0
304.6 1.68 1
304.7 2.91 2
304.8 4.38 4
304.9 5.85 5
305.0 7.02 7
305.1 7.22 7
305.2 5.83 5
305.3 3.38 3
320.3 0.25 0
320.4 0.9 0
320.5 4.87 4
320.6 12.43 12
320.7 22.18 22
320.8 34.96 34
320.9 51.52 51
321.0 71.71 71
321.1 90.34 90
321.2 100.0 99
321.3 96.06 95
321.4 77.71 77
321.5 48.69 48
321.6 18.97 18
321.7 1.42 1
322.4 1.59 1
322.5 2.81 2
322.6 4.62 4
322.7 6.77 6
322.8 8.63 8
322.9 9.97 9
323.0 11.68 11
323.1 14.71 14
323.2 17.73 17
323.3 17.44 17
323.4 12.47 12
323.5 5.64 5
323.6 0.98 0
330.8 4.05 4
330.9 5.51 5
331.0 8.42 8
331.1 11.94 11
331.2 14.31 14
331.3 13.81 13
331.4 10.22 10
331.5 5.24 5
331.6 1.31 1
338.3 0.61 0
338.4 3.05 3
338.5 7.78 7
338.6 14.68 14
338.7 22.95 22
338.8 31.62 31
338.9 41.0 40
339.0 52.6 52
339.1 66.75 66
339.2 79.26 79
339.3 81.27 81
339.4 66.05 65
339.5 37.92 37
339.6 11.18 11
339.7 0.0 0
340.8 0.98 0
340.9 2.35 2
341.0 4.19 4
341.1 5.69 5
341.2 6.21 6
341.3 5.59 5
341.4 4.05 4
341.5 2.15 2
348.4 1.85 1
348.5 3.42 3
348.6 5.32 5
348.7 7.4 7
348.8 11.35 11
348.9 19.14 19
349.0 29.11 29
349.1 36.09 36
349.2 36.64 36
349.3 31.67 31
349.4 23.51 23
349.5 13.86 13
349.6 5.22 5
349.7 0.29 0
366.4 2.41 2
366.5 3.76 3
366.6 5.91 5
366.7 9.55 9
366.8 14.78 14
366.9 20.07 20
367.0 23.22 23
367.1 24.28 24
367.2 25.49 25
367.3 26.96 26
367.4 24.96 24
367.5 17.16 17
367.6 7.07 7
367.7 0.73 0
//
