MassBank Record: MSBNK-RIKEN_NPDepo-NGA03758
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03758
RECORD_TITLE: Podophyllotoxin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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: splash10-000i-4888890000-96cffa9c7859eddbc2dc
PK$NUM_PEAK: 4182
PK$PEAK: m/z int. rel.int.
50.4 7.37 7
50.5 11.77 11
50.6 17.41 17
50.7 19.03 19
50.8 15.49 15
50.9 9.85 9
51.1 7.85 7
51.2 13.63 13
51.3 19.58 19
51.4 20.84 20
51.5 16.63 16
51.7 9.92 9
51.8 13.65 13
51.9 19.22 19
52.0 22.1 22
52.1 19.51 19
52.2 12.87 12
52.4 8.33 8
52.5 14.34 14
52.6 19.27 19
52.7 17.72 17
52.8 10.47 10
53.0 3.92 3
53.1 10.49 10
53.2 17.63 17
53.3 19.24 19
53.4 14.96 14
54.3 9.16 9
54.4 15.56 15
54.5 20.5 20
54.6 18.91 18
54.7 12.04 12
54.9 9.23 9
55.0 16.94 16
55.1 22.69 22
55.2 21.08 21
55.3 13.2 13
55.5 3.0 2
55.6 7.42 7
55.7 14.75 14
55.8 19.43 19
55.9 18.39 18
56.0 13.23 13
56.2 10.04 10
56.3 15.46 15
56.4 20.15 20
56.5 19.24 19
56.6 12.96 12
56.8 5.66 5
56.9 11.47 11
57.0 19.81 19
57.1 23.79 23
57.2 19.53 19
57.4 7.35 7
57.5 12.65 12
57.6 22.07 22
57.7 26.55 26
57.8 21.81 21
57.9 11.58 11
58.1 4.0 3
58.2 11.51 11
58.3 20.0 19
58.4 22.74 22
58.5 18.24 18
58.6 10.8 10
58.8 8.82 8
58.9 15.94 15
59.0 23.0 22
59.1 24.88 24
59.2 20.34 20
59.3 12.99 12
59.5 10.59 10
59.6 15.68 15
59.7 18.15 18
59.8 15.01 14
60.0 6.85 6
60.1 10.66 10
60.2 18.39 18
60.3 23.95 23
60.4 22.34 22
60.5 14.65 14
60.7 8.8 8
60.8 15.68 15
60.9 21.38 21
61.0 20.27 20
61.1 13.25 13
61.3 6.83 6
61.4 13.65 13
61.5 21.46 21
61.6 23.69 23
61.7 19.27 19
62.0 13.42 13
62.1 18.86 18
62.2 22.24 22
62.3 20.27 20
62.4 13.46 13
62.6 5.07 5
62.7 10.59 10
62.8 18.43 18
62.9 21.86 21
63.0 18.22 18
63.1 11.37 11
63.3 9.42 9
63.4 15.08 15
63.5 18.72 18
63.6 16.08 16
63.7 8.92 8
63.9 5.73 5
64.0 13.2 13
64.1 20.53 20
64.2 22.34 22
64.3 17.72 17
65.1 7.09 7
65.2 10.18 10
65.3 16.48 16
65.4 21.84 21
65.5 22.86 22
65.6 19.01 18
66.5 11.25 11
66.6 16.51 16
66.7 19.98 19
66.8 18.98 18
66.9 14.25 14
67.1 9.59 9
67.2 14.53 14
67.3 20.65 20
67.4 22.62 22
67.5 18.51 18
67.7 9.09 9
67.8 13.89 13
67.9 22.1 22
68.0 25.12 25
68.1 19.01 18
68.4 9.02 9
68.5 17.48 17
68.6 22.79 22
68.7 21.03 21
68.8 14.27 14
69.0 8.49 8
69.1 14.18 14
69.2 20.29 20
69.3 21.15 21
69.4 15.63 15
69.7 7.61 7
69.8 15.84 15
69.9 22.07 22
70.0 20.48 20
70.1 12.35 12
70.3 5.47 5
70.4 11.77 11
70.5 17.39 17
70.6 16.75 16
70.7 10.94 10
70.9 7.52 7
71.0 13.92 13
71.1 20.55 20
71.2 22.88 22
71.3 19.67 19
71.4 13.25 13
71.6 8.59 8
71.7 13.42 13
71.8 17.98 17
71.9 17.89 17
72.2 13.46 13
72.3 18.93 18
72.4 23.29 23
72.5 23.1 23
72.6 18.05 18
72.8 8.23 8
72.9 12.54 12
73.0 20.84 20
73.1 24.93 24
73.2 20.05 20
73.3 10.47 10
73.5 7.97 7
73.6 15.27 15
73.7 19.91 19
73.8 18.15 18
73.9 11.56 11
74.1 3.47 3
74.2 8.18 8
74.3 16.44 16
74.4 22.6 22
74.5 22.12 22
74.6 16.1 16
74.8 10.44 10
74.9 15.39 15
75.0 19.15 19
75.1 16.89 16
75.3 7.06 7
75.4 10.68 10
75.5 18.91 18
75.6 25.26 25
75.7 24.69 24
75.8 17.41 17
76.0 6.78 6
76.1 12.54 12
76.2 21.1 21
76.3 24.64 24
76.4 20.39 20
76.7 13.49 13
76.8 20.34 20
76.9 24.36 24
77.0 22.05 22
77.1 15.44 15
77.3 10.2 10
77.4 15.63 15
77.5 21.53 21
77.6 22.93 22
77.7 18.67 18
78.0 11.8 11
78.1 18.2 18
78.2 22.5 22
78.3 20.29 20
78.4 13.25 13
78.6 9.04 9
78.7 15.65 15
78.8 21.98 21
78.9 22.29 22
79.0 15.75 15
79.2 4.45 4
79.3 9.56 9
79.4 18.51 18
79.5 23.31 23
79.6 19.67 19
79.7 10.37 10
79.9 3.64 3
80.0 11.99 11
80.1 21.84 21
80.2 25.57 25
80.3 20.55 20
80.4 11.44 11
80.6 8.16 8
80.7 14.7 14
80.8 19.29 19
80.9 18.46 18
81.2 13.01 12
81.3 17.6 17
81.4 20.24 20
81.5 17.77 17
81.8 11.06 11
81.9 17.94 17
82.0 24.52 24
82.1 25.12 25
82.2 18.58 18
82.4 7.9 7
82.5 13.49 13
82.6 22.05 22
82.7 26.05 26
82.8 22.03 22
82.9 13.82 13
83.1 11.47 11
83.2 18.1 18
83.3 22.07 22
83.4 19.81 19
83.5 13.61 13
83.7 8.21 8
83.8 12.08 12
83.9 16.86 16
84.0 18.77 18
84.1 15.89 15
84.4 10.01 9
84.5 16.98 16
84.6 22.12 22
84.7 20.62 20
84.8 13.68 13
85.0 7.97 7
85.1 14.32 14
85.2 20.91 20
85.3 22.24 22
85.4 17.75 17
86.2 6.92 6
86.3 11.66 11
86.4 21.19 21
86.5 27.52 27
86.6 25.17 25
86.7 15.65 15
86.9 4.23 4
87.0 9.85 9
87.1 17.7 17
87.2 20.86 20
87.3 16.91 16
87.5 7.8 7
87.6 12.82 12
87.7 20.86 20
87.8 24.67 24
87.9 20.88 20
88.0 12.61 12
88.2 6.99 6
88.3 13.25 13
88.4 19.91 19
88.5 21.5 21
88.6 16.53 16
88.8 5.69 5
88.9 10.16 10
89.0 18.93 18
89.1 24.19 24
89.2 21.08 21
89.3 12.68 12
89.5 7.9 7
89.6 15.22 15
89.7 21.93 21
89.8 21.93 21
89.9 14.77 14
90.1 5.02 5
90.2 11.7 11
90.3 20.96 20
90.4 25.12 25
90.5 21.46 21
90.6 14.27 14
90.8 12.82 12
90.9 18.65 18
91.0 22.67 22
91.1 21.93 21
91.2 16.89 16
92.0 7.73 7
92.1 12.82 12
92.2 20.77 20
92.3 24.26 24
92.4 20.55 20
92.5 13.25 13
92.7 10.2 10
92.8 15.94 15
92.9 20.27 20
93.0 18.79 18
93.1 12.75 12
93.3 9.02 9
93.4 15.06 15
93.5 20.69 20
93.6 20.98 20
93.7 14.96 14
93.8 6.64 6
94.0 4.45 4
94.1 12.7 12
94.2 19.91 19
94.3 19.81 19
94.4 12.61 12
94.6 5.14 5
94.7 12.56 12
94.8 20.96 20
94.9 23.1 23
95.0 18.01 17
95.2 10.25 10
95.3 15.58 15
95.4 22.57 22
95.5 24.55 24
95.6 18.79 18
95.7 9.13 9
95.9 4.42 4
96.0 11.32 11
96.1 18.05 18
96.2 20.2 20
96.3 16.79 16
96.4 10.37 10
96.6 7.35 7
96.7 13.89 13
96.8 19.41 19
96.9 18.46 18
97.2 10.99 10
97.3 19.46 19
97.4 24.98 24
97.5 21.41 21
97.6 11.51 11
97.8 4.9 4
97.9 13.23 13
98.0 21.6 21
98.1 22.72 22
98.2 15.56 15
98.4 5.88 5
98.5 13.39 13
98.6 22.86 22
98.7 26.26 26
98.8 21.5 21
98.9 13.18 13
99.1 9.59 9
99.2 16.1 16
99.3 21.41 21
99.4 20.1 20
99.5 12.7 12
99.7 7.25 7
99.8 15.77 15
99.9 25.07 25
100.0 27.93 27
100.1 22.15 22
100.2 12.49 12
100.4 8.37 8
100.5 14.63 14
100.6 18.77 18
100.7 16.75 16
101.0 10.35 10
101.1 18.43 18
101.2 24.29 24
101.3 22.62 22
101.4 14.94 14
101.6 7.8 7
101.7 13.61 13
101.8 20.81 20
101.9 24.31 24
102.0 21.38 21
102.1 13.46 13
102.3 4.88 4
102.4 10.63 10
102.5 17.96 17
102.6 19.96 19
102.7 14.61 14
102.9 4.02 4
103.0 8.87 8
103.1 17.03 17
103.2 21.65 21
103.3 19.86 19
104.2 9.49 9
104.3 18.74 18
104.4 26.21 26
104.5 25.1 25
104.6 16.56 16
104.8 6.47 6
104.9 11.27 11
105.0 17.7 17
105.1 20.72 20
105.2 18.15 18
105.3 11.94 11
105.5 9.44 9
105.6 17.39 17
105.7 24.36 24
105.8 23.41 23
105.9 14.89 14
106.1 6.09 6
106.2 13.46 13
106.3 21.74 21
106.4 23.38 23
106.5 16.91 16
106.6 7.64 7
106.8 6.26 6
106.9 15.63 15
107.0 23.88 23
107.1 24.6 24
107.2 17.91 17
107.4 9.16 9
107.5 15.44 15
107.6 23.22 23
107.7 24.9 24
107.8 18.36 18
108.1 9.04 9
108.2 16.72 16
108.3 20.41 20
108.4 16.77 16
108.7 10.01 9
108.8 17.84 17
108.9 22.24 22
109.0 18.82 18
109.1 10.63 10
109.3 6.99 6
109.4 13.8 13
109.5 19.79 19
109.6 20.48 20
109.7 15.89 15
109.9 9.56 9
110.0 14.39 14
110.1 20.88 20
110.2 23.07 23
110.3 17.96 17
110.4 8.49 8
110.6 2.9 2
110.7 11.2 11
110.8 19.08 19
110.9 20.15 20
111.0 14.99 14
111.2 7.87 7
111.3 12.32 12
111.4 19.24 19
111.5 22.1 22
111.6 16.6 16
111.9 5.64 5
112.0 17.96 17
112.1 27.09 27
112.2 25.81 25
112.3 16.29 16
112.5 5.09 5
112.6 10.3 10
112.7 17.94 17
112.8 22.26 22
112.9 20.62 20
113.0 15.22 15
113.2 12.44 12
113.3 17.91 17
113.4 22.93 22
113.5 22.81 22
113.6 17.53 17
113.8 11.08 11
113.9 15.34 15
114.0 20.65 20
114.1 22.74 22
114.2 20.34 20
114.5 14.08 14
114.6 19.41 19
114.7 22.74 22
114.8 19.27 19
114.9 10.68 10
115.1 5.35 5
115.2 13.42 13
115.3 21.74 21
115.4 23.67 23
115.5 17.89 17
116.4 6.37 6
116.5 12.96 12
116.6 17.7 17
116.7 16.46 16
116.8 10.39 10
117.0 4.73 4
117.1 10.94 10
117.2 18.82 18
117.3 22.0 21
117.4 18.63 18
117.5 12.73 12
117.7 11.7 11
117.8 16.25 16
117.9 19.55 19
118.0 18.51 18
118.1 13.49 13
118.3 9.06 9
118.4 15.51 15
118.5 22.74 22
118.6 24.26 24
118.7 19.15 19
119.5 9.75 9
119.6 14.13 14
119.7 21.38 21
119.8 25.88 25
119.9 22.98 22
120.0 14.37 14
120.2 7.73 7
120.3 14.3 14
120.4 20.84 20
120.5 21.76 21
120.6 16.48 16
120.9 8.92 8
121.0 17.6 17
121.1 23.93 23
121.2 22.19 22
121.3 14.61 14
121.5 11.68 11
121.6 18.93 18
121.7 23.26 23
121.8 19.81 19
121.9 11.04 11
122.1 4.73 4
122.2 11.99 11
122.3 19.72 19
122.4 21.76 21
122.5 17.06 17
122.8 10.42 10
122.9 18.03 18
123.0 23.83 23
123.1 22.79 22
123.2 15.27 15
123.4 6.47 6
123.5 13.77 13
123.6 22.95 22
123.7 25.57 25
123.8 19.08 19
124.1 8.82 8
124.2 17.51 17
124.3 22.6 22
124.4 19.86 19
124.5 12.37 12
124.7 8.35 8
124.8 14.22 14
124.9 19.48 19
125.0 19.84 19
125.1 14.82 14
125.4 7.92 7
125.5 14.82 14
125.6 19.53 19
125.7 17.79 17
125.8 11.75 11
126.0 9.42 9
126.1 15.7 15
126.2 21.19 21
126.3 21.12 21
126.4 15.01 14
127.2 3.52 3
127.3 11.58 11
127.4 21.93 21
127.5 26.02 25
127.6 21.1 21
127.7 11.63 11
127.9 5.09 5
128.0 11.49 11
128.1 18.48 18
128.2 20.31 20
128.3 16.27 16
128.5 11.87 11
128.6 17.29 17
128.7 22.93 22
128.8 23.48 23
128.9 18.05 18
129.1 8.52 8
129.2 13.27 13
129.3 21.19 21
129.4 24.86 24
129.5 20.58 20
129.6 11.99 11
129.8 8.44 8
129.9 15.68 15
130.0 22.05 22
130.1 22.57 22
130.2 16.58 16
130.5 9.44 9
130.6 17.72 17
130.7 22.91 22
130.8 20.93 20
130.9 14.06 14
131.1 9.21 9
131.2 15.29 15
131.3 21.0 20
131.4 20.53 20
131.5 13.61 13
131.7 5.26 5
131.8 11.75 11
131.9 20.22 20
132.0 23.45 23
132.1 18.93 18
132.2 10.63 10
132.4 7.87 7
132.5 15.63 15
132.6 21.88 21
132.7 20.86 20
132.8 13.61 13
133.0 8.52 8
133.1 16.06 16
133.2 23.12 23
133.3 23.48 23
133.4 16.91 16
133.6 7.68 7
133.7 13.08 13
133.8 20.08 20
133.9 22.15 22
134.0 17.96 17
134.2 9.47 9
134.3 13.23 13
134.4 20.22 20
134.5 24.57 24
134.6 22.29 22
134.7 14.63 14
134.9 5.88 5
135.0 11.16 11
135.1 18.7 18
135.2 22.38 22
135.3 19.39 19
135.4 12.63 12
135.6 8.33 8
135.7 13.37 13
135.8 18.24 18
135.9 18.41 18
136.0 13.61 13
136.2 9.63 9
136.3 16.34 16
136.4 23.79 23
136.5 25.86 25
136.6 21.03 21
136.7 13.53 13
136.9 12.18 12
137.0 18.41 18
137.1 22.6 22
137.2 20.88 20
137.3 14.53 14
137.5 8.92 8
137.6 13.82 13
137.7 18.86 18
137.8 19.6 19
137.9 15.65 15
138.2 10.54 10
138.3 15.39 15
138.4 18.53 18
138.5 16.94 16
138.7 9.75 9
138.8 14.13 14
138.9 23.19 23
139.0 28.78 28
139.1 24.55 24
139.2 13.15 13
139.4 4.61 4
139.5 13.51 13
139.6 22.84 22
139.7 25.38 25
139.8 20.69 20
140.7 2.4 2
140.8 12.73 12
140.9 23.72 23
141.0 27.59 27
141.1 22.62 22
141.2 14.53 14
141.9 4.38 4
142.0 12.13 12
142.1 22.91 22
142.2 28.69 28
142.3 25.07 25
142.4 15.39 15
142.6 9.21 9
142.7 17.01 16
142.8 23.69 23
142.9 22.84 22
143.0 14.87 14
143.2 5.97 5
143.3 13.08 13
143.4 21.67 21
143.5 24.02 23
143.6 18.2 18
143.7 9.16 9
143.9 6.99 6
144.0 14.7 14
144.1 21.17 21
144.2 21.74 21
144.3 16.72 16
144.5 10.75 10
144.6 15.94 15
144.7 22.07 22
144.8 23.05 23
144.9 17.48 17
145.1 7.8 7
145.2 12.84 12
145.3 22.03 22
145.4 28.59 28
145.5 27.33 27
145.6 18.93 18
145.8 8.14 8
145.9 14.53 14
146.0 22.81 22
146.1 24.67 24
146.2 18.17 18
146.4 6.68 6
146.5 11.96 11
146.6 20.53 20
146.7 25.1 25
146.8 21.67 21
146.9 13.15 13
147.1 7.83 7
147.2 15.1 15
147.3 22.07 22
147.4 22.48 22
147.5 15.44 15
147.8 7.4 7
147.9 16.22 16
148.0 21.93 21
148.1 20.03 20
148.2 12.65 12
148.4 8.56 8
148.5 16.72 16
148.6 23.76 23
148.7 22.76 22
148.8 14.32 14
149.0 4.61 4
149.1 11.06 11
149.2 19.1 19
149.3 21.31 21
149.4 16.15 16
149.6 8.63 8
149.7 15.41 15
149.8 24.29 24
149.9 27.71 27
150.0 22.48 22
150.1 12.46 12
150.3 8.33 8
150.4 18.01 17
150.5 26.05 26
150.6 24.86 24
150.7 15.6 15
150.9 5.8 5
151.0 12.54 12
151.1 20.22 20
151.2 21.81 21
151.3 16.01 15
151.5 5.78 5
151.6 10.61 10
151.7 18.58 18
151.8 22.6 22
151.9 18.55 18
152.0 9.49 9
152.2 5.42 5
152.3 13.61 13
152.4 20.88 20
152.5 21.67 21
152.6 16.03 16
152.8 7.59 7
152.9 11.94 11
153.0 18.1 18
153.1 19.98 19
153.2 15.41 15
153.4 5.23 5
153.5 9.87 9
153.6 18.41 18
153.7 23.57 23
153.8 21.34 21
153.9 14.08 14
154.1 8.63 8
154.2 15.41 15
154.3 23.03 23
154.4 24.81 24
154.5 19.22 19
154.8 10.82 10
154.9 18.24 18
155.0 23.53 23
155.1 22.0 21
155.2 14.41 14
155.4 7.14 7
155.5 14.11 14
155.6 20.53 20
155.7 19.24 19
155.8 11.04 11
156.0 3.26 3
156.1 10.39 10
156.2 18.77 18
156.3 21.76 21
156.4 17.77 17
156.7 11.37 11
156.8 17.94 17
156.9 22.57 22
157.0 21.15 21
157.1 14.49 14
157.3 8.44 8
157.4 14.77 14
157.5 21.46 21
157.6 22.24 22
157.7 15.58 15
157.8 6.07 6
158.0 4.71 4
158.1 14.34 14
158.2 22.24 22
158.3 22.41 22
158.4 15.75 15
158.6 8.97 8
158.7 14.56 14
158.8 19.93 19
158.9 19.84 19
159.0 14.61 14
159.2 7.85 7
159.3 11.94 11
159.4 18.2 18
159.5 22.17 22
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//
