MassBank Record: MSBNK-RIKEN_NPDepo-NGA01705
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01705
RECORD_TITLE: Ecdysterone 22-O-benzoate; 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: The sterols, Cholestanes
CH$NAME: Ecdysterone 22-O-benzoate
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C34H48O8
CH$EXACT_MASS: 584.7569
CH$SMILES: CC(C)(O)CC[C@H](OC(=O)c1ccccc1)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C
CH$IUPAC: InChI=1S/C34H48O8/c1-30(2,39)14-13-28(42-29(38)20-9-7-6-8-10-20)33(5,40)27-12-16-34(41)22-17-24(35)23-18-25(36)26(37)19-31(23,3)21(22)11-15-32(27,34)4/h6-10,17,21,23,25-28,36-37,39-41H,11-16,18-19H2,1-5H3/t21?,23?,25?,26?,27?,28-,31+,32+,33+,34+/m0/s1
CH$LINK: INCHIKEY
GHZYCHXISZLQFT-IKFSIKHDSA-N
CH$LINK: PUBCHEM
CID:44663461
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: splash10-066r-1945200000-a9f6c11e1aa68949cab3
PK$NUM_PEAK: 912
PK$PEAK: m/z int. rel.int.
68.4 0.97 0
68.5 2.74 2
68.6 6.41 6
68.7 11.19 11
68.8 15.47 15
68.9 18.19 18
69.0 18.9 18
69.1 17.04 17
69.2 12.49 12
69.3 6.81 6
69.4 2.41 2
80.5 1.49 1
80.6 3.09 3
80.7 5.07 5
80.8 6.66 6
80.9 7.82 7
81.0 9.1 9
81.1 10.25 10
81.2 9.88 9
81.3 7.31 7
81.4 3.8 3
92.4 1.72 1
92.5 2.98 2
92.6 4.45 4
92.7 5.74 5
92.8 6.61 6
92.9 6.91 6
93.0 6.38 6
93.1 4.92 4
93.2 2.98 2
94.7 3.6 3
94.8 5.34 5
94.9 7.04 7
95.0 7.97 7
95.1 7.86 7
95.2 6.76 6
95.3 4.89 4
95.4 2.72 2
96.4 1.57 1
96.5 3.99 3
96.6 7.55 7
96.7 11.19 11
96.8 14.09 14
96.9 15.93 15
97.0 16.16 16
97.1 14.09 14
97.2 10.22 10
97.3 6.28 6
97.4 3.6 3
98.3 2.03 2
98.4 2.93 2
98.5 4.29 4
98.6 6.83 6
98.7 10.39 10
98.8 13.34 13
98.9 14.49 14
99.0 14.42 14
99.1 13.73 13
99.2 11.47 11
99.3 7.13 7
99.4 2.57 2
104.1 1.1 1
104.2 2.43 2
104.3 6.28 6
104.4 13.34 13
104.5 23.32 23
104.6 36.05 36
104.7 51.34 51
104.8 68.01 67
104.9 83.36 83
105.0 94.78 94
105.1 100.0 99
105.2 94.93 94
105.3 75.21 75
105.4 43.92 43
105.5 14.01 13
105.6 0.0 0
106.3 1.19 1
106.4 3.02 3
106.5 6.84 6
106.6 12.96 12
106.7 19.19 19
106.8 21.83 21
106.9 19.47 19
107.0 15.5 15
107.1 14.36 14
107.2 15.53 15
107.3 14.45 14
107.4 9.26 9
107.5 3.23 3
108.4 2.49 2
108.5 3.93 3
108.6 6.11 6
108.7 9.21 9
108.8 12.71 12
108.9 15.2 15
109.0 15.61 15
109.1 14.2 14
109.2 11.84 11
109.3 8.9 8
109.4 5.58 5
109.5 2.62 2
110.6 1.1 1
110.7 2.42 2
110.8 4.6 4
110.9 6.65 6
111.0 7.07 7
111.1 5.46 5
111.2 3.03 3
120.5 0.94 0
120.6 2.27 2
120.7 4.67 4
120.8 7.56 7
120.9 9.74 9
121.0 10.12 10
121.1 8.49 8
121.2 5.78 5
121.3 3.33 3
122.3 1.8 1
122.4 3.34 3
122.5 5.13 5
122.6 6.65 6
122.7 7.36 7
122.8 7.35 7
122.9 7.65 7
123.0 9.16 9
123.1 11.09 11
123.2 11.38 11
123.3 8.92 8
123.4 4.91 4
123.5 1.61 1
124.3 1.63 1
124.4 2.8 2
124.5 4.23 4
124.6 6.2 6
124.7 9.58 9
124.8 14.82 14
124.9 20.28 20
125.0 22.8 22
125.1 21.06 21
125.2 17.08 17
125.3 13.3 13
125.4 9.78 9
125.5 5.74 5
125.6 2.01 2
126.4 0.69 0
126.5 2.03 2
126.6 4.63 4
126.7 7.88 7
126.8 10.24 10
126.9 10.12 10
127.0 7.32 7
127.1 3.55 3
132.9 3.4 3
133.0 4.81 4
133.1 5.9 5
133.2 6.12 6
133.3 5.2 5
133.4 3.38 3
134.3 1.64 1
134.4 3.36 3
134.5 4.77 4
134.6 4.95 4
134.7 5.02 5
134.8 7.04 7
134.9 10.97 10
135.0 13.71 13
135.1 12.4 12
135.2 7.82 7
135.3 3.24 3
138.6 0.76 0
138.7 2.31 2
138.8 5.54 5
138.9 9.4 9
139.0 11.38 11
139.1 9.72 9
139.2 5.56 5
139.3 1.77 1
142.7 2.26 2
142.8 3.47 3
142.9 4.75 4
143.0 5.56 5
143.1 5.28 5
143.2 3.85 3
143.3 2.04 2
144.7 1.43 1
144.8 2.68 2
144.9 4.24 4
145.0 5.17 5
145.1 4.73 4
145.2 3.23 3
146.6 3.01 3
146.7 4.5 4
146.8 10.27 10
146.9 18.59 18
147.0 24.1 24
147.1 23.39 23
147.2 18.07 18
147.3 11.77 11
147.4 6.43 6
147.5 2.49 2
148.4 1.18 1
148.5 2.18 2
148.6 4.1 4
148.7 7.04 7
148.8 10.58 10
148.9 14.15 14
149.0 17.54 17
149.1 20.2 20
149.2 20.44 20
149.3 16.84 16
149.4 10.39 10
149.5 4.17 4
149.6 0.95 0
150.6 0.84 0
150.7 2.32 2
150.8 4.8 4
150.9 6.96 6
151.0 7.15 7
151.1 5.32 5
154.5 1.02 1
154.6 2.26 2
154.7 4.05 4
154.8 5.88 5
154.9 7.06 7
155.0 6.94 6
155.1 5.34 5
155.2 2.96 2
156.6 1.5 1
156.7 2.89 2
156.8 4.67 4
156.9 5.84 5
157.0 5.58 5
157.1 4.28 4
158.8 4.3 4
158.9 5.89 5
159.0 7.99 7
159.1 10.19 10
159.2 11.38 11
159.3 10.12 10
159.4 6.47 6
159.5 2.5 2
160.3 1.66 1
160.4 3.05 3
160.5 4.77 4
160.6 6.3 6
160.7 7.15 7
160.8 7.46 7
160.9 8.27 8
161.0 10.44 10
161.1 12.99 12
161.2 13.53 13
161.3 10.84 10
161.4 6.35 6
161.5 2.57 2
162.5 1.65 1
162.6 3.79 3
162.7 6.15 6
162.8 7.93 7
162.9 8.74 8
163.0 9.16 9
163.1 9.93 9
163.2 10.69 10
163.3 9.99 9
163.4 7.13 7
163.5 3.39 3
164.1 0.5 0
164.2 2.7 2
164.3 7.42 7
164.4 12.72 12
164.5 15.83 15
164.6 17.57 17
164.7 23.57 23
164.8 38.49 38
164.9 59.25 59
165.0 76.78 76
165.1 84.99 84
165.2 84.22 84
165.3 75.29 75
165.4 56.59 56
165.5 30.78 30
165.6 8.32 8
165.7 0.11 0
170.5 0.51 0
170.6 1.98 1
170.7 5.12 5
170.8 8.68 8
170.9 10.31 10
171.0 9.16 9
171.1 7.1 7
171.2 6.14 6
171.3 5.86 5
171.4 4.63 4
171.5 2.57 2
172.5 1.82 1
172.6 3.09 3
172.7 5.49 5
172.8 8.72 8
172.9 11.67 11
173.0 13.35 13
173.1 13.85 13
173.2 13.48 13
173.3 11.66 11
173.4 8.01 8
173.5 3.8 3
174.6 0.61 0
174.7 1.92 1
174.8 5.0 4
174.9 9.46 9
175.0 13.3 13
175.1 14.51 14
175.2 13.1 13
175.3 10.49 10
175.4 7.67 7
175.5 4.35 4
175.6 1.54 1
176.4 1.96 1
176.5 2.89 2
176.6 4.36 4
176.7 6.64 6
176.8 9.27 9
176.9 11.42 11
177.0 13.28 13
177.1 15.43 15
177.2 16.51 16
177.3 14.03 14
177.4 8.18 8
177.5 2.52 2
184.7 1.75 1
184.8 2.91 2
184.9 3.96 3
185.0 4.49 4
185.1 4.34 4
185.2 3.5 3
186.6 1.7 1
186.7 2.77 2
186.8 5.62 5
186.9 10.1 10
187.0 14.55 14
187.1 16.72 16
187.2 15.46 15
187.3 11.47 11
187.4 6.58 6
187.5 2.63 2
188.5 1.36 1
188.6 2.83 2
188.7 5.71 5
188.8 9.12 9
188.9 11.09 11
189.0 10.35 10
189.1 7.65 7
189.2 4.86 4
189.3 3.01 3
190.6 0.53 0
190.7 1.67 1
190.8 5.96 5
190.9 13.78 13
191.0 21.94 21
191.1 25.93 25
191.2 23.48 23
191.3 16.2 16
191.4 7.95 7
191.5 2.06 2
194.4 0.57 0
194.5 2.03 2
194.6 4.88 4
194.7 7.99 7
194.8 9.45 9
194.9 8.2 8
195.0 5.11 5
195.1 2.13 2
196.4 1.76 1
196.5 2.93 2
196.6 4.46 4
196.7 5.73 5
196.8 6.2 6
196.9 6.21 6
197.0 6.8 6
197.1 8.05 8
197.2 8.45 8
197.3 6.71 6
197.4 3.57 3
198.6 1.39 1
198.7 2.97 2
198.8 5.88 5
198.9 9.26 9
199.0 11.11 11
199.1 10.22 10
199.2 7.76 7
199.3 5.86 5
199.4 4.97 4
199.5 3.85 3
199.6 2.13 2
204.7 2.15 2
204.8 4.24 4
204.9 7.05 7
205.0 9.23 9
205.1 9.7 9
205.2 8.51 8
205.3 6.43 6
205.4 4.16 4
205.5 2.2 2
206.9 1.54 1
207.0 2.7 2
207.1 3.88 3
207.2 4.43 4
207.3 3.97 3
207.4 2.75 2
210.5 0.85 0
210.6 1.98 1
210.7 3.99 3
210.8 6.46 6
210.9 8.29 8
211.0 8.38 8
211.1 6.64 6
211.2 4.2 4
211.3 2.24 2
212.6 3.0 2
212.7 4.04 4
212.8 5.46 5
212.9 6.75 6
213.0 7.34 7
213.1 6.95 6
213.2 5.58 5
213.3 3.59 3
214.6 1.57 1
214.7 3.22 3
214.8 6.48 6
214.9 10.49 10
215.0 13.56 13
215.1 14.58 14
215.2 13.46 13
215.3 10.54 10
215.4 6.5 6
215.5 3.01 3
216.7 3.41 3
216.8 4.93 4
216.9 7.81 7
217.0 10.65 10
217.1 11.17 11
217.2 8.58 8
217.3 4.6 4
217.4 1.6 1
220.6 0.67 0
220.7 1.8 1
220.8 3.91 3
220.9 6.0 5
221.0 6.41 6
221.1 4.66 4
221.2 2.14 2
222.7 2.22 2
222.8 3.76 3
222.9 5.6 5
223.0 6.8 6
223.1 6.32 6
223.2 4.28 4
223.3 2.01 2
224.9 3.3 3
225.0 4.91 4
225.1 6.59 6
225.2 6.92 6
225.3 5.41 5
225.4 3.06 3
228.5 1.08 1
228.6 2.82 2
228.7 5.2 5
228.8 6.6 6
228.9 5.83 5
229.0 3.67 3
230.5 1.96 1
230.6 3.46 3
230.7 5.36 5
230.8 7.91 7
230.9 10.83 10
231.0 12.69 12
231.1 12.08 12
231.2 9.27 9
231.3 5.81 5
231.4 3.01 3
232.6 1.85 1
232.7 3.4 3
232.8 5.18 5
232.9 7.15 7
233.0 9.95 9
233.1 13.06 13
233.2 14.15 14
233.3 11.84 11
233.4 7.81 7
233.5 4.73 4
233.6 3.21 3
236.6 1.28 1
236.7 2.81 2
236.8 5.1 5
236.9 7.15 7
237.0 7.7 7
237.1 6.42 6
237.2 4.27 4
237.3 2.37 2
238.7 2.46 2
238.8 3.81 3
238.9 4.95 4
239.0 5.53 5
239.1 5.69 5
239.2 5.61 5
239.3 5.0 4
239.4 3.64 3
240.6 2.29 2
240.7 3.65 3
240.8 4.85 4
240.9 5.55 5
241.0 5.54 5
241.1 4.73 4
241.2 3.29 3
244.8 1.38 1
244.9 2.92 2
245.0 4.47 4
245.1 4.85 4
245.2 3.66 3
246.7 1.42 1
246.8 3.7 3
246.9 6.73 6
247.0 8.76 8
247.1 8.7 8
247.2 7.39 7
247.3 6.09 6
247.4 4.76 4
247.5 2.93 2
248.4 0.73 0
248.5 2.15 2
248.6 5.33 5
248.7 10.07 10
248.8 15.09 15
248.9 18.57 18
249.0 19.06 19
249.1 16.18 16
249.2 11.07 11
249.3 5.76 5
249.4 2.13 2
252.7 1.15 1
252.8 3.02 3
252.9 5.93 5
253.0 8.56 8
253.1 9.23 9
253.2 7.47 7
253.3 4.47 4
253.4 1.94 1
254.5 1.01 1
254.6 2.71 2
254.7 5.43 5
254.8 8.43 8
254.9 10.87 10
255.0 12.22 12
255.1 12.01 11
255.2 9.92 9
255.3 6.45 6
255.4 3.08 3
262.6 2.21 2
262.7 3.2 3
262.8 4.51 4
262.9 6.55 6
263.0 9.17 9
263.1 11.11 11
263.2 10.89 10
263.3 8.33 8
263.4 4.81 4
263.5 1.98 1
264.6 0.2 0
264.7 1.35 1
264.8 4.04 4
264.9 7.75 7
265.0 11.8 11
265.1 15.63 15
265.2 17.76 17
265.3 16.04 16
265.4 10.4 10
265.5 3.99 3
266.5 2.24 2
266.6 3.29 3
266.7 4.65 4
266.8 5.38 5
266.9 4.62 4
267.0 3.23 3
267.1 3.12 3
267.2 4.64 4
267.3 5.85 5
267.4 5.0 4
267.5 2.7 2
273.0 0.67 0
273.1 1.97 1
273.2 4.19 4
273.3 6.14 6
273.4 6.32 6
273.5 4.5 4
273.6 2.06 2
276.6 0.8 0
276.7 2.28 2
276.8 5.01 5
276.9 7.87 7
277.0 8.8 8
277.1 6.89 6
277.2 3.55 3
278.5 1.03 1
278.6 2.83 2
278.7 6.22 6
278.8 10.32 10
278.9 13.13 13
279.0 13.28 13
279.1 11.29 11
279.2 8.67 8
279.3 6.27 6
279.4 4.11 4
279.5 2.33 2
280.8 1.07 1
280.9 2.31 2
281.0 3.93 3
281.1 4.9 4
281.2 4.39 4
281.3 2.73 2
282.6 1.52 1
282.7 2.95 2
282.8 6.23 6
282.9 12.44 12
283.0 18.91 18
283.1 21.42 21
283.2 18.43 18
283.3 12.45 12
283.4 6.85 6
283.5 3.04 3
284.6 1.41 1
284.7 3.13 3
284.8 5.49 5
284.9 7.18 7
285.0 7.32 7
285.1 6.74 6
285.2 6.65 6
285.3 6.65 6
285.4 5.41 5
285.5 3.01 3
292.8 2.1 2
292.9 3.56 3
293.0 5.18 5
293.1 5.79 5
293.2 4.92 4
294.4 1.84 1
294.5 2.9 2
294.6 4.21 4
294.7 5.96 5
294.8 8.31 8
294.9 11.09 11
295.0 13.8 13
295.1 15.76 15
295.2 16.01 15
295.3 13.84 13
295.4 9.7 9
295.5 5.22 5
295.6 1.98 1
298.4 1.74 1
298.5 3.41 3
298.6 5.35 5
298.7 6.87 6
298.8 7.73 7
298.9 8.05 8
299.0 7.65 7
299.1 6.1 6
299.2 3.63 3
300.4 1.74 1
300.5 3.18 3
300.6 5.43 5
300.7 9.32 9
300.8 17.01 16
300.9 27.66 27
301.0 38.06 38
301.1 44.36 44
301.2 44.14 44
301.3 37.37 37
301.4 26.37 26
301.5 14.78 14
301.6 5.81 5
301.7 1.15 1
302.2 0.95 0
302.3 2.65 2
302.4 5.69 5
302.5 8.73 8
302.6 10.19 10
302.7 10.87 10
302.8 13.76 13
302.9 20.55 20
303.0 30.11 30
303.1 39.61 39
303.2 44.7 44
303.3 40.51 40
303.4 26.83 26
303.5 10.89 10
303.6 1.34 1
310.7 1.8 1
310.8 3.54 3
310.9 6.11 6
311.0 8.66 8
311.1 10.01 9
311.2 9.37 9
311.3 6.87 6
311.4 3.66 3
312.5 0.81 0
312.6 2.3 2
312.7 4.89 4
312.8 7.47 7
312.9 8.6 8
313.0 8.55 8
313.1 9.09 9
313.2 10.73 10
313.3 11.6 11
313.4 9.86 9
313.5 6.12 6
313.6 2.63 2
318.6 0.94 0
318.7 2.68 2
318.8 5.3 5
318.9 7.23 7
319.0 6.94 6
319.1 4.8 4
319.2 2.6 2
322.7 1.12 1
322.8 2.75 2
322.9 7.0 6
323.0 12.27 12
323.1 15.15 15
323.2 13.15 13
323.3 7.61 7
323.4 2.41 2
326.6 1.25 1
326.7 2.57 2
326.8 4.15 4
326.9 4.91 4
327.0 4.37 4
327.1 3.17 3
328.8 2.66 2
328.9 5.44 5
329.0 8.99 8
329.1 11.67 11
329.2 12.11 12
329.3 9.95 9
329.4 6.18 6
329.5 2.64 2
330.4 1.0 0
330.5 3.05 3
330.6 6.29 6
330.7 9.68 9
330.8 12.27 12
330.9 13.97 13
331.0 14.75 14
331.1 14.01 13
331.2 11.52 11
331.3 8.24 8
331.4 5.44 5
331.5 3.44 3
334.6 0.81 0
334.7 2.39 2
334.8 6.38 6
334.9 12.06 12
335.0 16.44 16
335.1 16.95 16
335.2 14.34 14
335.3 10.98 10
335.4 7.72 7
335.5 4.35 4
335.6 1.39 1
339.1 2.19 2
339.2 4.06 4
339.3 5.89 5
339.4 6.06 6
339.5 4.22 4
339.6 1.79 1
340.7 2.33 2
340.8 4.72 4
340.9 9.53 9
341.0 15.42 15
341.1 20.07 20
341.2 21.5 21
341.3 18.56 18
341.4 11.91 11
341.5 4.75 4
341.6 0.33 0
344.7 3.18 3
344.8 4.02 4
344.9 5.6 5
345.0 7.01 7
345.1 6.94 6
345.2 5.37 5
345.3 3.46 3
348.8 1.08 1
348.9 2.92 2
349.0 5.48 5
349.1 7.17 7
349.2 6.69 6
349.3 4.54 4
349.4 2.32 2
350.8 1.97 1
350.9 3.22 3
351.0 4.81 4
351.1 5.76 5
351.2 5.36 5
351.3 3.88 3
351.4 2.17 2
352.4 0.96 0
352.5 2.53 2
352.6 4.9 4
352.7 6.89 6
352.8 8.08 8
352.9 10.75 10
353.0 18.02 18
353.1 28.88 28
353.2 36.68 36
353.3 34.79 34
353.4 23.54 23
353.5 10.06 10
353.6 1.34 1
358.7 2.12 2
358.8 3.71 3
358.9 5.68 5
359.0 7.04 7
359.1 6.9 6
359.2 5.5 5
359.3 3.86 3
359.4 2.54 2
362.9 1.63 1
363.0 3.32 3
363.1 5.24 5
363.2 6.06 6
363.3 4.97 4
363.4 2.73 2
370.5 0.53 0
370.6 2.24 2
370.7 7.38 7
370.8 16.82 16
370.9 28.48 28
371.0 37.75 37
371.1 40.78 40
371.2 37.55 37
371.3 30.88 30
371.4 23.0 22
371.5 14.91 14
371.6 7.81 7
371.7 2.09 2
372.6 0.99 0
372.7 2.69 2
372.8 6.21 6
372.9 10.1 10
373.0 11.71 11
373.1 10.34 10
373.2 8.19 8
373.3 7.21 7
373.4 6.64 6
373.5 4.98 4
373.6 2.55 2
390.4 0.59 0
390.5 2.15 2
390.6 5.24 5
390.7 8.3 8
390.8 9.43 9
390.9 9.77 9
391.0 13.21 13
391.1 20.97 20
391.2 28.52 28
391.3 30.18 30
391.4 24.85 24
391.5 15.85 15
391.6 7.31 7
391.7 1.52 1
408.4 0.86 0
408.5 2.34 2
408.6 4.24 4
408.7 8.92 8
408.8 17.14 17
408.9 28.88 28
409.0 43.22 43
409.1 58.4 58
409.2 70.47 70
409.3 73.33 73
409.4 62.61 62
409.5 40.7 40
409.6 17.09 17
409.7 1.55 1
426.3 0.71 0
426.4 2.43 2
426.5 5.59 5
426.6 9.12 9
426.7 11.76 11
426.8 15.17 15
426.9 24.26 24
427.0 41.73 41
427.1 62.93 62
427.2 78.36 78
427.3 80.84 80
427.4 69.05 68
427.5 47.18 47
427.6 23.4 23
427.7 6.11 6
427.8 0.45 0
444.5 2.02 2
444.6 3.58 3
444.7 5.22 5
444.8 7.39 7
444.9 11.79 11
445.0 19.35 19
445.1 28.44 28
445.2 36.2 36
445.3 40.79 40
445.4 40.64 40
445.5 33.74 33
445.6 20.78 20
445.7 7.59 7
445.8 0.48 0
//
