MassBank Record: MSBNK-RIKEN_NPDepo-NGA03760
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03760
RECORD_TITLE: Podophyllotoxin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Organic chemicals, Polycyclic compounds, Naphthalenes
CH$NAME: Podophyllotoxin
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C22H22O8
CH$EXACT_MASS: 414.4158
CH$SMILES: COc1cc([C@@H]2c3cc4c(cc3[C@H](O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC
CH$IUPAC: InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19+,20+/m1/s1
CH$LINK: CAS
518-28-5
CH$LINK: CHEMSPIDER
10162 4699 24774779 25027419
CH$LINK: INCHIKEY
YJGVMLPVUAXIQN-DPUNPDONSA-N
CH$LINK: PUBCHEM
CID:6610290
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 NEGATIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCOO]-
PK$SPLASH: splash10-014i-3789770000-405ab1bc1acc5b06da63
PK$NUM_PEAK: 1360
PK$PEAK: m/z int. rel.int.
54.0 3.9 3
54.1 6.9 6
54.2 9.4 9
54.3 8.99 8
54.6 3.97 3
54.7 6.94 6
54.8 9.79 9
54.9 10.33 10
55.0 8.47 8
58.5 5.77 5
58.6 8.15 8
58.7 9.58 9
58.8 8.98 8
61.0 5.13 5
61.1 7.58 7
61.2 9.13 9
61.3 7.98 7
62.3 3.98 3
62.4 7.17 7
62.5 9.95 9
62.6 10.06 10
62.7 7.5 7
63.6 5.48 5
63.7 7.62 7
63.8 9.2 9
63.9 8.71 8
67.4 3.58 3
67.5 6.38 6
67.6 9.11 9
67.7 9.39 9
67.8 6.85 6
70.6 2.38 2
70.7 5.54 5
70.8 8.87 8
70.9 9.48 9
71.0 7.19 7
73.2 4.37 4
73.3 7.62 7
73.4 9.7 9
73.5 9.04 9
74.5 4.35 4
74.6 7.69 7
74.7 10.08 10
74.8 9.52 9
74.9 6.5 6
76.4 2.81 2
76.5 6.85 6
76.6 10.11 10
76.7 9.7 9
76.8 6.1 6
77.0 2.97 2
77.1 6.34 6
77.2 9.61 9
77.3 9.78 9
77.4 6.9 6
78.9 4.67 4
79.0 7.17 7
79.1 9.67 9
79.2 9.89 9
79.3 7.44 7
79.6 4.59 4
79.7 7.89 7
79.8 9.93 9
79.9 8.98 8
85.3 5.07 5
85.4 7.6 7
85.5 9.7 9
85.6 9.57 9
85.7 7.44 7
86.6 4.99 4
86.7 7.71 7
86.8 9.86 9
86.9 9.27 9
87.0 6.13 6
87.9 5.89 5
88.0 8.47 8
88.1 9.97 9
88.2 8.59 8
88.3 4.91 4
89.2 4.56 4
89.3 6.85 6
89.4 8.25 8
89.5 7.89 7
89.6 6.45 6
89.7 5.31 5
89.8 5.48 5
89.9 6.83 6
90.0 8.15 8
90.1 8.07 8
91.1 3.42 3
91.2 6.09 6
91.3 8.75 8
91.4 8.84 8
92.4 3.29 3
92.5 5.86 5
92.6 7.72 7
92.7 7.34 7
94.3 3.81 3
94.4 6.63 6
94.5 9.16 9
94.6 9.11 9
96.2 4.45 4
96.3 7.16 7
96.4 9.23 9
96.5 8.8 8
96.6 6.09 6
100.7 4.95 4
100.8 7.25 7
100.9 9.06 9
101.0 8.94 8
102.6 3.87 3
102.7 6.75 6
102.8 9.08 9
102.9 8.71 8
104.5 3.97 3
104.6 6.49 6
104.7 8.62 8
104.8 8.75 8
104.9 6.74 6
105.2 4.38 4
105.3 7.76 7
105.4 10.38 10
105.5 10.25 10
106.5 4.0 3
106.6 6.82 6
106.7 9.49 9
106.8 9.66 9
106.9 7.14 7
108.4 4.59 4
108.5 6.77 6
108.6 7.99 7
108.7 7.52 7
110.9 3.77 3
111.0 6.7 6
111.1 9.55 9
111.2 10.06 10
111.3 8.03 8
112.2 3.92 3
112.3 6.07 6
112.4 8.27 8
112.5 8.87 8
113.5 3.06 3
113.6 6.78 6
113.7 9.85 9
113.8 9.65 9
118.6 1.96 1
118.7 5.42 5
118.8 9.06 9
118.9 9.8 9
119.0 7.2 7
120.5 3.72 3
120.6 6.15 6
120.7 8.88 8
120.8 9.74 9
120.9 7.96 7
121.2 4.74 4
121.3 7.53 7
121.4 9.16 9
121.5 8.28 8
124.4 5.18 5
124.5 7.56 7
124.6 9.41 9
124.7 9.22 9
126.3 3.64 3
126.4 6.32 6
126.5 9.08 9
126.6 10.15 10
127.6 2.59 2
127.7 5.81 5
127.8 8.66 8
127.9 9.09 9
128.0 7.04 7
130.8 4.87 4
130.9 8.11 8
131.0 10.15 10
131.1 9.61 9
131.2 6.85 6
134.6 4.06 4
134.7 6.35 6
134.8 8.62 8
134.9 9.01 9
135.0 7.21 7
135.3 5.05 5
135.4 7.21 7
135.5 8.34 8
135.6 7.44 7
135.9 4.4 4
136.0 6.92 6
136.1 9.33 9
136.2 9.49 9
136.3 7.26 7
138.5 5.45 5
138.6 7.8 7
138.7 9.51 9
138.8 9.26 9
138.9 7.02 7
140.4 6.06 6
140.5 8.27 8
140.6 10.06 10
140.7 9.89 9
140.8 7.4 7
142.3 4.85 4
142.4 7.45 7
142.5 9.94 9
142.6 10.13 10
142.7 7.65 7
145.5 4.71 4
145.6 7.4 7
145.7 9.41 9
145.8 8.98 8
145.9 6.36 6
146.2 4.36 4
146.3 7.39 7
146.4 9.25 9
146.5 8.47 8
148.1 5.05 5
148.2 7.76 7
148.3 9.25 9
148.4 7.82 7
148.7 3.65 3
148.8 6.29 6
148.9 8.46 8
149.0 8.53 8
149.1 6.92 6
149.2 5.59 5
149.3 6.01 6
149.4 7.79 7
149.5 9.16 9
149.6 8.63 8
149.7 6.13 6
150.0 4.41 4
150.1 8.06 8
150.2 10.37 10
150.3 9.52 9
150.4 6.47 6
151.3 4.39 4
151.4 6.7 6
151.5 7.99 7
151.6 7.29 7
153.2 4.45 4
153.3 7.48 7
153.4 9.66 9
153.5 9.04 9
157.0 4.52 4
157.1 7.43 7
157.2 9.62 9
157.3 9.27 9
157.4 6.86 6
158.3 3.73 3
158.4 6.42 6
158.5 9.11 9
158.6 9.66 9
160.9 3.48 3
161.0 6.32 6
161.1 8.66 8
161.2 8.55 8
164.7 5.9 5
164.8 8.34 8
164.9 9.69 9
165.0 8.54 8
166.0 4.85 4
166.1 7.32 7
166.2 9.11 9
166.3 8.34 8
167.3 5.07 5
167.4 8.67 8
167.5 10.83 10
167.6 9.52 9
169.8 2.0 1
169.9 5.25 5
170.0 9.1 9
170.1 10.66 10
170.2 9.05 9
172.4 4.31 4
172.5 7.04 7
172.6 9.37 9
172.7 9.84 9
172.8 8.53 8
172.9 6.78 6
173.0 6.02 6
173.1 6.67 6
173.2 7.87 7
173.3 8.18 8
173.4 6.85 6
173.7 4.82 4
173.8 7.34 7
173.9 8.93 8
174.0 8.19 8
177.5 5.81 5
177.6 8.38 8
177.7 9.68 9
177.8 8.59 8
178.8 4.23 4
178.9 6.64 6
179.0 8.84 8
179.1 8.97 8
182.6 4.41 4
182.7 7.3 7
182.8 9.48 9
182.9 9.21 9
185.8 2.87 2
185.9 5.77 5
186.0 8.71 8
186.1 9.52 9
186.2 7.65 7
186.5 4.59 4
186.6 7.55 7
186.7 9.46 9
186.8 8.47 8
187.7 3.77 3
187.8 6.94 6
187.9 9.97 9
188.0 10.49 10
188.1 8.36 8
190.3 2.92 2
190.4 5.83 5
190.5 9.13 9
190.6 10.06 10
190.7 7.92 7
191.6 3.99 3
191.7 6.63 6
191.8 9.06 9
191.9 9.16 9
192.0 6.94 6
192.9 4.96 4
193.0 7.98 7
193.1 9.8 9
193.2 8.86 8
196.1 4.99 4
196.2 7.67 7
196.3 9.56 9
196.4 9.03 9
198.0 4.16 4
198.1 6.85 6
198.2 8.82 8
198.3 8.11 8
198.6 3.72 3
198.7 6.36 6
198.8 8.9 8
198.9 9.26 9
199.0 7.26 7
201.2 4.3 4
201.3 6.87 6
201.4 8.84 8
201.5 8.54 8
203.1 2.48 2
203.2 5.8 5
203.3 8.79 8
203.4 8.97 8
204.4 5.67 5
204.5 8.14 8
204.6 10.17 10
204.7 9.62 9
204.8 6.78 6
208.2 3.89 3
208.3 6.63 6
208.4 9.16 9
208.5 8.98 8
208.6 6.17 6
209.5 5.22 5
209.6 8.44 8
209.7 10.5 10
209.8 9.67 9
209.9 6.54 6
210.8 4.11 4
210.9 6.71 6
211.0 9.06 9
211.1 9.36 9
211.2 7.33 7
214.0 5.59 5
214.1 8.03 8
214.2 9.48 9
214.3 8.99 8
215.3 5.0 4
215.4 7.73 7
215.5 9.49 9
215.6 8.94 8
217.2 4.64 4
217.3 7.32 7
217.4 9.21 9
217.5 8.49 8
218.5 4.64 4
218.6 7.71 7
218.7 9.97 9
218.8 9.83 9
220.4 4.66 4
220.5 7.12 7
220.6 9.11 9
220.7 8.6 8
221.0 3.11 3
221.1 6.08 6
221.2 9.49 9
221.3 10.5 10
221.4 8.52 8
223.6 5.32 5
223.7 8.03 8
223.8 9.75 9
223.9 9.19 9
224.9 4.91 4
225.0 6.99 6
225.1 8.45 8
225.2 8.0 7
225.3 6.13 6
225.4 4.79 4
225.5 5.61 5
225.6 8.17 8
225.7 10.21 10
225.8 9.6 9
225.9 6.5 6
226.8 3.82 3
226.9 6.3 6
227.0 8.16 8
227.1 7.67 7
227.4 4.5 4
227.5 7.14 7
227.6 9.46 9
227.7 9.53 9
227.8 7.21 7
228.1 3.66 3
228.2 6.58 6
228.3 8.68 8
228.4 8.07 8
229.3 2.74 2
229.4 5.63 5
229.5 8.91 8
229.6 10.18 10
229.7 8.54 8
230.6 3.73 3
230.7 6.6 6
230.8 9.35 9
230.9 9.99 9
231.0 8.06 8
231.3 5.18 5
231.4 7.61 7
231.5 8.78 8
231.6 7.76 7
233.8 2.84 2
233.9 6.31 6
234.0 9.55 9
234.1 10.19 10
234.2 8.07 8
235.1 3.44 3
235.2 7.18 7
235.3 10.47 10
235.4 10.76 10
235.5 8.27 8
238.3 4.66 4
238.4 7.77 7
238.5 10.15 10
238.6 9.48 9
238.7 6.21 6
239.6 4.14 4
239.7 7.11 7
239.8 9.2 9
239.9 8.47 8
240.9 4.8 4
241.0 7.53 7
241.1 9.3 9
241.2 8.38 8
241.5 4.08 4
241.6 7.49 7
241.7 10.35 10
241.8 10.28 10
241.9 7.65 7
242.8 5.62 5
242.9 7.41 7
243.0 8.91 8
243.1 8.9 8
243.2 7.14 7
244.1 4.92 4
244.2 7.55 7
244.3 9.26 9
244.4 8.44 8
247.9 4.17 4
248.0 6.89 6
248.1 8.8 8
248.2 8.47 8
249.2 2.89 2
249.3 5.95 5
249.4 8.89 8
249.5 9.24 9
249.6 6.74 6
250.5 6.07 6
250.6 8.75 8
250.7 10.2 10
250.8 9.13 9
251.7 4.96 4
251.8 6.8 6
251.9 8.42 8
252.0 8.54 8
252.1 6.8 6
252.4 3.78 3
252.5 7.11 7
252.6 9.78 9
252.7 9.39 9
254.3 3.69 3
254.4 6.54 6
254.5 9.0 8
254.6 9.2 9
255.6 3.96 3
255.7 6.77 6
255.8 8.46 8
255.9 7.67 7
257.5 4.39 4
257.6 7.26 7
257.7 9.7 9
257.8 9.44 9
257.9 6.64 6
259.4 5.0 4
259.5 7.59 7
259.6 10.1 10
259.7 10.39 10
259.8 8.3 8
260.7 4.06 4
260.8 7.07 7
260.9 9.97 9
261.0 10.33 10
261.1 7.88 7
262.6 3.7 3
262.7 8.53 8
262.8 12.02 12
262.9 11.07 11
263.0 7.02 7
265.2 5.42 5
265.3 7.4 7
265.4 8.36 8
265.5 7.73 7
265.6 6.29 6
265.7 5.31 5
265.8 5.64 5
265.9 7.12 7
266.0 8.57 8
266.1 8.58 8
266.2 7.08 7
266.3 5.46 5
266.4 5.29 5
266.5 6.67 6
266.6 8.33 8
266.7 8.8 8
266.8 7.53 7
268.4 4.12 4
268.5 7.25 7
268.6 9.68 9
268.7 9.38 9
270.3 4.73 4
270.4 7.26 7
270.5 9.13 9
270.6 8.89 8
271.6 4.45 4
271.7 7.22 7
271.8 9.13 9
271.9 8.25 8
274.8 4.29 4
274.9 6.58 6
275.0 8.31 8
275.1 7.73 7
275.4 3.43 3
275.5 6.45 6
275.6 9.29 9
275.7 9.38 9
275.8 6.68 6
279.3 5.35 5
279.4 7.67 7
279.5 8.96 8
279.6 8.21 8
280.6 5.08 5
280.7 7.85 7
280.8 9.75 9
280.9 9.12 9
281.8 5.28 5
281.9 7.7 7
282.0 9.38 9
282.1 8.55 8
285.0 3.11 3
285.1 5.81 5
285.2 8.33 8
285.3 8.57 8
285.4 6.5 6
287.6 4.95 4
287.7 7.62 7
287.8 9.16 9
287.9 8.25 8
288.2 3.49 3
288.3 6.13 6
288.4 9.24 9
288.5 10.07 10
288.6 7.87 7
290.8 3.49 3
290.9 6.3 6
291.0 8.59 8
291.1 8.54 8
292.7 2.97 2
292.8 5.69 5
292.9 8.38 8
293.0 8.82 8
297.2 3.72 3
297.3 6.53 6
297.4 8.75 8
297.5 8.62 8
298.5 3.82 3
298.6 6.79 6
298.7 9.11 9
298.8 8.66 8
299.7 2.81 2
299.8 5.54 5
299.9 8.08 8
300.0 8.74 8
300.1 7.46 7
302.9 4.73 4
303.0 7.35 7
303.1 9.7 9
303.2 10.06 10
303.3 8.15 8
306.8 3.47 3
306.9 6.21 6
307.0 8.16 8
307.1 7.78 7
307.4 4.66 4
307.5 7.55 7
307.6 10.35 10
307.7 10.61 10
307.8 8.12 8
310.0 4.27 4
310.1 6.99 6
310.2 8.89 8
310.3 8.34 8
312.6 5.61 5
312.7 7.86 7
312.8 9.16 9
312.9 8.3 8
315.1 4.91 4
315.2 7.65 7
315.3 10.06 10
315.4 10.01 9
315.5 7.42 7
320.9 3.8 3
321.0 6.87 6
321.1 9.26 9
321.2 8.91 8
322.8 3.82 3
322.9 7.36 7
323.0 9.54 9
323.1 8.82 8
325.3 0.93 0
325.4 4.15 4
325.5 8.08 8
325.6 9.69 9
325.7 8.03 8
326.6 4.0 3
326.7 6.62 6
326.8 10.73 10
326.9 13.59 13
327.0 12.27 12
327.3 5.29 5
327.4 8.93 8
327.5 10.42 10
327.6 8.2 8
327.9 5.1 5
328.0 8.21 8
328.1 10.34 10
328.2 10.06 10
328.3 7.89 7
329.2 4.7 4
329.3 7.94 7
329.4 10.47 10
329.5 10.08 10
334.3 3.77 3
334.4 6.69 6
334.5 8.81 8
334.6 8.41 8
334.7 6.51 6
334.8 5.39 5
334.9 6.05 6
335.0 7.6 7
335.1 8.46 8
335.2 7.97 7
335.3 6.7 6
335.4 5.63 5
335.5 5.45 5
335.6 6.42 6
335.7 8.15 8
335.8 9.5 9
335.9 9.0 8
336.0 6.39 6
336.9 3.28 3
337.0 6.22 6
337.1 8.0 7
337.2 7.33 7
337.5 3.91 3
337.6 6.42 6
337.7 8.89 8
337.8 8.92 8
337.9 5.98 5
338.8 4.43 4
338.9 6.99 6
339.0 8.63 8
339.1 8.16 8
339.2 6.54 6
339.3 5.45 5
339.4 5.66 5
339.5 6.66 6
339.6 7.5 7
339.7 7.58 7
339.8 6.62 6
339.9 5.04 5
340.0 4.08 4
340.1 4.95 4
340.2 7.38 7
340.3 9.35 9
340.4 8.86 8
342.0 3.7 3
342.1 6.67 6
342.2 8.9 8
342.3 8.41 8
342.6 3.95 3
342.7 6.95 6
342.8 10.2 10
342.9 10.93 10
343.0 8.57 8
343.3 5.18 5
343.4 7.84 7
343.5 9.46 9
343.6 8.66 8
343.9 4.99 4
344.0 7.55 7
344.1 9.68 9
344.2 9.2 9
345.8 4.05 4
345.9 7.16 7
346.0 9.92 9
346.1 10.08 10
346.2 7.76 7
346.5 4.67 4
346.6 7.12 7
346.7 9.02 9
346.8 8.98 8
348.4 5.0 4
348.5 7.49 7
348.6 9.25 9
348.7 8.71 8
352.9 4.59 4
353.0 7.41 7
353.1 9.0 8
353.2 8.17 8
354.8 4.4 4
354.9 6.99 6
355.0 8.6 8
355.1 7.86 7
356.1 4.86 4
356.2 7.3 7
356.3 8.67 8
356.4 7.55 7
356.7 3.63 3
356.8 6.53 6
356.9 9.04 9
357.0 9.1 9
357.1 6.97 6
358.0 5.45 5
358.1 7.43 7
358.2 8.73 8
358.3 8.14 8
364.9 8.92 8
365.0 12.23 12
365.1 14.54 14
365.2 13.73 13
365.3 10.55 10
365.4 6.96 6
366.3 3.87 3
366.4 6.19 6
366.5 8.53 8
366.6 9.36 9
366.7 8.47 8
366.8 6.8 6
366.9 5.71 5
367.0 5.91 5
367.1 6.99 6
367.2 7.53 7
367.3 6.37 6
367.5 1.78 1
367.6 3.05 3
367.7 11.87 11
367.8 31.89 31
367.9 58.88 58
368.0 77.29 77
368.1 72.39 72
368.2 47.27 47
368.3 20.5 20
368.4 6.26 6
368.8 3.56 3
368.9 5.66 5
369.0 8.53 8
369.1 10.11 10
369.2 9.07 9
369.5 5.29 5
369.6 8.34 8
369.7 10.85 10
369.8 10.53 10
369.9 7.49 7
372.7 4.63 4
372.8 7.03 7
372.9 8.93 8
373.0 8.59 8
373.1 6.37 6
373.4 4.8 4
373.5 6.71 6
373.6 8.01 8
373.7 7.78 7
374.6 3.97 3
374.7 7.4 7
374.8 10.35 10
374.9 10.33 10
375.0 7.26 7
375.9 3.28 3
376.0 6.52 6
376.1 9.63 9
376.2 9.86 9
376.3 7.26 7
378.5 4.77 4
378.6 7.39 7
378.7 9.05 9
378.8 8.28 8
380.4 4.37 4
380.5 6.9 6
380.6 8.9 8
380.7 8.62 8
382.9 3.04 3
383.0 5.86 5
383.1 9.0 8
383.2 10.16 10
383.3 8.42 8
383.4 4.94 4
386.1 5.64 5
386.2 8.67 8
386.3 10.6 10
386.4 9.71 9
386.5 6.33 6
386.8 3.81 3
386.9 7.67 7
387.0 10.19 10
387.1 9.48 9
387.2 6.29 6
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//
