MassBank Record: MSBNK-RIKEN_NPDepo-NGA00160
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00160
RECORD_TITLE: Alloside B; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: The sterols, Cholestanes
CH$NAME: Alloside B
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C39H66O14
CH$EXACT_MASS: 758.9525
CH$SMILES: CC(C)CCC(O)[C@@H](C)C1C(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)CC2C3CC=C4C[C@@H](O)CC(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)[C@]4(C)C3CC[C@@]21C
CH$IUPAC: InChI=1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?,30-,31-,32?,33?,34?,35?,36-,37+,38+,39+/m1/s1
CH$LINK: CAS
142735-55-5
CH$LINK: CHEMSPIDER
2331841
CH$LINK: INCHIKEY
JPJDIOVDAAVUNF-JCBACFEVSA-N
AC$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+Na]+
PK$SPLASH: splash10-001i-1757433930-687e464f3e26f8d66aa2
PK$NUM_PEAK: 2446
PK$PEAK: m/z int. rel.int.
50.8 4.68 4
50.9 5.8 5
51.0 7.11 7
51.1 7.89 7
51.2 7.61 7
51.3 6.36 6
51.4 4.73 4
51.9 4.31 4
52.0 5.36 5
52.1 6.4 6
52.2 6.87 6
52.3 6.65 6
52.4 6.09 6
52.5 5.53 5
52.6 5.03 5
52.7 4.54 4
52.8 4.27 4
52.9 4.47 4
53.0 5.07 5
53.1 5.59 5
53.2 5.79 5
53.3 5.85 5
53.4 6.05 6
53.5 6.27 6
53.6 6.12 6
53.7 5.42 5
54.2 4.17 4
54.3 5.19 5
54.4 6.05 6
54.5 6.79 6
54.6 7.36 7
54.7 7.39 7
54.8 6.67 6
54.9 5.66 5
55.0 5.07 5
55.1 5.2 5
55.2 5.76 5
55.3 6.31 6
55.4 6.48 6
55.5 6.08 6
55.6 5.27 5
55.7 4.44 4
55.8 3.97 3
55.9 3.84 3
56.0 3.72 3
56.1 3.57 3
56.2 3.62 3
56.3 4.08 4
56.4 4.85 4
56.5 5.68 5
56.6 6.38 6
56.7 6.84 6
56.8 6.82 6
56.9 6.14 6
66.3 3.74 3
66.4 5.27 5
66.5 6.69 6
66.6 7.53 7
66.7 7.68 7
66.8 7.43 7
66.9 6.89 6
67.0 5.9 5
72.1 4.68 4
72.2 5.72 5
72.3 6.75 6
72.4 7.43 7
72.5 7.5 7
72.6 6.94 6
72.7 6.0 5
87.5 4.41 4
87.6 5.3 5
87.7 6.09 6
87.8 6.96 6
87.9 7.82 7
88.0 8.21 8
88.1 7.77 7
90.9 3.97 3
91.0 5.1 5
91.1 6.29 6
91.2 7.34 7
91.3 8.02 8
91.4 8.07 8
91.5 7.43 7
91.6 6.25 6
101.0 3.7 3
101.1 4.59 4
101.2 5.66 5
101.3 6.67 6
101.4 7.12 7
101.5 6.69 6
101.6 5.62 5
103.2 3.38 3
103.3 4.62 4
103.4 5.51 5
103.5 5.95 5
103.6 6.27 6
103.7 6.54 6
103.8 6.43 6
103.9 5.65 5
107.9 4.32 4
108.0 5.67 5
108.1 6.84 6
108.2 7.32 7
108.3 7.07 7
108.4 6.4 6
108.5 5.63 5
108.6 4.96 4
108.7 4.59 4
108.8 4.66 4
108.9 5.11 5
109.0 5.61 5
109.1 5.9 5
109.2 5.85 5
109.3 5.49 5
109.4 4.99 4
109.5 4.53 4
109.6 4.18 4
109.7 3.93 3
109.8 3.89 3
109.9 4.29 4
110.0 5.21 5
110.1 6.28 6
110.2 6.9 6
110.3 6.87 6
110.4 6.45 6
110.5 6.0 5
110.6 5.59 5
110.7 5.11 5
110.8 4.47 4
110.9 3.67 3
111.0 2.91 2
111.1 2.54 2
111.2 2.84 2
111.3 3.78 3
111.4 4.98 4
111.5 5.84 5
111.6 5.83 5
111.7 4.98 4
113.4 3.51 3
113.5 4.83 4
113.6 6.38 6
113.7 7.04 7
113.8 6.43 6
113.9 5.09 5
117.8 2.47 2
117.9 4.17 4
118.0 6.04 6
118.1 7.32 7
118.2 7.4 7
118.3 6.34 6
118.4 4.77 4
128.9 4.6 4
129.0 5.95 5
129.1 7.13 7
129.2 7.55 7
129.3 7.2 7
129.4 6.41 6
129.5 5.46 5
129.6 4.35 4
129.7 3.06 3
130.1 2.25 2
130.2 3.29 3
130.3 4.3 4
130.4 5.22 5
130.5 5.82 5
130.6 5.56 5
134.5 2.81 2
134.6 4.07 4
134.7 5.35 5
134.8 6.1 6
134.9 5.92 5
135.0 5.02 5
135.1 4.21 4
135.2 4.03 4
135.3 4.46 4
135.4 4.94 4
135.5 5.12 5
135.6 5.08 5
135.7 5.1 5
135.8 5.36 5
135.9 5.83 5
136.0 6.3 6
136.1 6.5 6
136.2 6.14 6
136.3 5.19 5
136.4 3.89 3
136.8 2.99 2
136.9 4.52 4
137.0 6.02 6
137.1 6.89 6
137.2 6.84 6
137.3 5.91 5
137.4 4.64 4
138.0 3.83 3
138.1 4.75 4
138.2 5.57 5
138.3 6.14 6
138.4 6.26 6
138.5 5.78 5
144.5 1.96 1
144.6 3.59 3
144.7 5.08 5
144.8 5.96 5
144.9 6.37 6
145.0 6.56 6
145.1 6.27 6
145.2 5.21 5
145.3 3.69 3
145.7 3.08 3
145.8 4.38 4
145.9 5.6 5
146.0 6.42 6
146.1 6.8 6
146.2 6.78 6
146.3 6.41 6
146.4 5.78 5
146.5 5.12 5
146.6 4.83 4
146.7 5.05 5
146.8 5.53 5
146.9 5.82 5
147.0 5.73 5
147.1 5.4 5
147.2 5.17 5
147.3 5.29 5
147.4 5.59 5
147.5 5.48 5
147.6 4.6 4
147.7 3.17 3
148.1 2.44 2
148.2 3.75 3
148.3 5.4 5
148.4 6.73 6
148.5 7.1 7
148.6 6.57 6
148.7 5.63 5
148.8 4.52 4
149.2 3.34 3
149.3 5.14 5
149.4 6.51 6
149.5 6.88 6
149.6 6.26 6
151.4 3.9 3
151.5 5.17 5
151.6 6.35 6
151.7 6.75 6
151.8 6.41 6
151.9 5.9 5
152.0 5.56 5
152.1 5.31 5
152.2 4.88 4
152.3 4.32 4
152.4 4.02 4
152.5 4.25 4
152.6 4.83 4
152.7 5.24 5
152.8 5.24 5
152.9 5.08 5
153.0 5.09 5
153.1 5.21 5
153.2 5.15 5
153.3 4.74 4
153.4 4.2 4
153.5 3.97 3
153.6 4.22 4
153.7 4.79 4
153.8 5.37 5
153.9 5.7 5
154.0 5.63 5
154.1 5.26 5
154.2 4.92 4
154.3 4.95 4
154.4 5.35 5
154.5 5.71 5
154.6 5.68 5
154.7 5.29 5
154.8 4.76 4
154.9 4.34 4
155.0 4.24 4
155.1 4.49 4
155.2 4.92 4
155.3 5.28 5
155.4 5.45 5
155.5 5.42 5
155.6 5.09 5
155.7 4.48 4
155.8 3.94 3
155.9 3.95 3
156.0 4.67 4
156.1 5.75 5
156.2 6.62 6
156.3 6.97 6
156.4 6.87 6
156.5 6.5 6
156.6 5.66 5
156.7 4.23 4
157.0 2.72 2
157.1 4.2 4
157.2 5.66 5
157.3 6.53 6
157.4 6.67 6
157.5 6.06 6
159.2 3.83 3
159.3 5.15 5
159.4 6.59 6
159.5 7.65 7
159.6 8.14 8
159.7 7.98 7
159.8 7.14 7
159.9 5.77 5
164.8 5.25 5
164.9 6.41 6
165.0 7.36 7
165.1 7.62 7
165.2 7.07 7
167.0 3.84 3
167.1 5.07 5
167.2 6.34 6
167.3 6.98 6
167.4 6.51 6
167.5 5.38 5
167.6 4.55 4
167.7 4.51 4
167.8 4.8 4
167.9 4.96 4
168.0 5.24 5
168.1 5.99 5
168.2 6.93 6
168.3 7.46 7
168.4 7.33 7
168.5 6.88 6
168.6 6.42 6
168.7 6.01 6
168.8 5.56 5
168.9 5.02 5
169.0 4.47 4
169.1 4.07 4
169.2 3.99 3
169.3 4.3 4
169.4 4.94 4
169.5 5.59 5
169.6 5.87 5
169.7 5.69 5
169.8 5.2 5
169.9 4.68 4
170.0 4.3 4
170.1 4.17 4
170.2 4.31 4
170.3 4.72 4
170.4 5.31 5
170.5 5.93 5
170.6 6.46 6
170.7 6.82 6
170.8 6.95 6
170.9 6.67 6
171.0 6.06 6
171.1 5.38 5
171.2 4.84 4
171.3 4.46 4
171.4 4.23 4
171.5 4.34 4
171.6 5.0 4
171.7 6.06 6
171.8 6.96 6
171.9 7.1 7
172.0 6.54 6
172.1 5.85 5
172.2 5.46 5
172.3 5.3 5
172.4 5.22 5
172.5 5.19 5
172.6 5.25 5
172.7 5.23 5
172.8 4.95 4
172.9 4.49 4
173.0 4.22 4
173.1 4.43 4
173.2 5.06 5
173.3 5.66 5
173.4 5.8 5
173.5 5.53 5
173.6 5.27 5
173.7 5.41 5
173.8 5.93 5
173.9 6.54 6
174.0 7.0 6
174.1 7.27 7
174.2 7.26 7
174.3 6.7 6
176.0 5.56 5
176.1 6.5 6
176.2 7.53 7
176.3 8.55 8
176.4 9.21 9
176.5 8.95 8
176.6 7.48 7
176.7 5.2 5
177.0 2.33 2
177.1 3.96 3
177.2 5.95 5
177.3 7.31 7
177.4 7.64 7
177.5 7.13 7
178.1 5.58 5
178.2 6.65 6
178.3 7.77 7
178.4 8.62 8
178.5 8.91 8
178.6 8.57 8
178.7 7.7 7
178.8 6.47 6
182.8 3.81 3
182.9 5.51 5
183.0 7.25 7
183.1 8.25 8
183.2 7.94 7
183.3 6.31 6
183.4 4.1 4
183.7 3.0 2
183.8 4.62 4
183.9 6.35 6
184.0 7.68 7
184.1 8.41 8
184.2 8.45 8
184.3 7.75 7
184.4 6.4 6
190.6 4.38 4
190.7 5.63 5
190.8 6.69 6
190.9 7.28 7
191.0 7.32 7
191.1 6.82 6
191.2 5.98 5
191.3 5.2 5
191.4 4.86 4
191.5 5.05 5
191.6 5.48 5
191.7 5.69 5
191.8 5.57 5
191.9 5.32 5
192.0 5.15 5
192.1 5.1 5
192.2 5.2 5
192.3 5.48 5
192.4 5.78 5
192.5 5.78 5
192.6 5.46 5
192.7 5.18 5
192.8 5.2 5
192.9 5.53 5
193.0 5.92 5
193.1 6.19 6
193.2 6.27 6
193.3 6.19 6
193.4 5.88 5
193.5 5.29 5
193.6 4.58 4
193.7 4.12 4
193.8 4.19 4
193.9 4.78 4
194.0 5.7 5
194.1 6.61 6
194.2 7.33 7
194.3 7.8 7
194.4 7.84 7
194.5 7.09 7
194.6 5.54 5
198.4 3.17 3
198.5 4.81 4
198.6 6.38 6
198.7 6.87 6
198.8 6.15 6
198.9 5.06 5
199.0 4.6 4
199.1 5.12 5
199.2 6.25 6
199.3 7.17 7
199.4 7.35 7
199.5 6.85 6
199.6 6.29 6
199.7 6.19 6
199.8 6.59 6
199.9 7.03 7
200.0 7.12 7
200.1 6.81 6
200.2 6.33 6
200.3 5.96 5
200.4 5.96 5
200.5 6.28 6
200.6 6.54 6
200.7 6.42 6
200.8 6.1 6
200.9 5.88 5
201.0 5.69 5
201.1 5.15 5
201.2 4.27 4
201.3 3.39 3
201.4 2.95 2
201.5 2.98 2
201.6 3.4 3
201.7 4.09 4
201.8 4.89 4
201.9 5.61 5
202.0 6.23 6
202.1 6.63 6
202.2 6.47 6
202.3 5.67 5
202.4 4.84 4
202.5 4.71 4
202.6 5.19 5
202.7 5.54 5
202.8 5.32 5
202.9 4.79 4
203.0 4.49 4
203.1 4.6 4
203.2 5.11 5
203.3 5.86 5
203.4 6.55 6
203.5 6.69 6
203.6 6.11 6
203.7 5.26 5
203.8 4.88 4
203.9 5.28 5
204.0 6.06 6
204.1 6.52 6
204.2 6.23 6
204.3 5.37 5
204.4 4.68 4
204.5 4.68 4
204.6 5.0 4
204.7 4.99 4
204.8 4.62 4
204.9 4.42 4
205.0 4.74 4
205.1 5.44 5
205.2 6.25 6
205.3 6.9 6
205.4 7.15 7
205.5 6.72 6
207.1 5.15 5
207.2 6.16 6
207.3 6.84 6
207.4 7.27 7
207.5 7.56 7
207.6 7.48 7
207.7 6.82 6
207.8 5.66 5
215.2 4.42 4
215.3 5.87 5
215.4 7.04 7
215.5 7.29 7
215.6 6.51 6
215.7 5.24 5
217.3 3.66 3
217.4 5.49 5
217.5 7.24 7
217.6 8.27 8
217.7 8.41 8
217.8 7.88 7
217.9 7.13 7
218.0 6.48 6
218.1 6.09 6
218.2 5.7 5
218.7 3.93 3
218.8 5.21 5
218.9 6.14 6
219.0 6.34 6
219.1 6.06 6
219.2 5.71 5
219.3 5.3 5
219.4 4.76 4
219.5 4.25 4
219.6 4.15 4
219.7 4.64 4
219.8 5.57 5
219.9 6.48 6
220.0 6.84 6
220.1 6.36 6
222.9 3.5 3
223.0 4.4 4
223.1 5.17 5
223.2 5.74 5
223.3 6.2 6
223.4 6.66 6
223.5 6.83 6
223.6 6.38 6
223.7 5.55 5
223.8 5.03 5
223.9 5.21 5
224.0 5.88 5
224.1 6.59 6
224.2 6.93 6
224.3 6.65 6
224.4 5.83 5
245.1 3.94 3
245.2 5.24 5
245.3 6.43 6
245.4 6.92 6
245.5 6.69 6
245.6 6.2 6
245.7 5.69 5
245.8 5.11 5
245.9 4.41 4
246.0 3.81 3
246.1 3.6 3
246.2 3.78 3
246.3 4.0 3
246.4 4.12 4
246.5 4.15 4
246.6 4.34 4
246.7 4.75 4
246.8 5.28 5
246.9 5.63 5
247.0 5.56 5
247.1 5.11 5
247.2 4.63 4
247.3 4.59 4
247.4 5.08 5
247.5 5.85 5
247.6 6.55 6
247.7 7.15 7
247.8 7.62 7
247.9 7.67 7
248.0 7.06 7
248.1 5.9 5
248.2 4.49 4
259.9 4.13 4
260.0 4.97 4
260.1 5.79 5
260.2 6.56 6
260.3 7.09 7
260.4 7.17 7
260.5 6.69 6
260.6 5.59 5
262.1 3.71 3
262.2 5.01 5
262.3 6.19 6
262.4 6.83 6
262.5 6.84 6
262.6 6.38 6
262.7 5.62 5
262.8 4.85 4
262.9 4.31 4
263.0 4.07 4
263.1 3.95 3
263.2 3.69 3
263.3 3.28 3
263.4 3.08 3
263.5 3.48 3
263.6 4.47 4
263.7 5.63 5
263.8 6.42 6
263.9 6.54 6
264.0 6.09 6
264.1 5.45 5
264.2 4.92 4
264.3 4.53 4
264.4 4.2 4
264.5 4.09 4
264.6 4.41 4
264.7 5.03 5
264.8 5.46 5
264.9 5.33 5
265.0 4.72 4
265.1 3.99 3
265.2 3.38 3
265.3 3.12 3
265.4 3.46 3
265.5 4.45 4
265.6 5.71 5
265.7 6.67 6
265.8 7.02 7
265.9 6.84 6
266.0 6.24 6
272.3 2.64 2
272.4 4.08 4
272.5 5.47 5
272.6 6.23 6
272.7 6.3 6
272.8 5.88 5
272.9 5.18 5
273.0 4.56 4
273.1 4.33 4
273.2 4.4 4
273.3 4.45 4
273.4 4.5 4
273.5 4.94 4
273.6 5.92 5
273.7 6.98 6
273.8 7.43 7
273.9 7.03 7
274.0 6.14 6
274.1 5.31 5
274.2 4.76 4
274.3 4.46 4
274.4 4.52 4
274.5 5.21 5
274.6 6.56 6
274.7 8.02 8
274.8 8.82 8
274.9 8.56 8
275.0 7.59 7
279.8 4.64 4
279.9 5.83 5
280.0 6.68 6
280.1 6.92 6
280.2 6.85 6
280.3 6.9 6
280.4 7.3 7
280.5 7.73 7
280.6 7.6 7
280.7 6.75 6
280.8 5.72 5
280.9 5.25 5
281.0 5.4 5
281.1 5.67 5
281.2 5.66 5
281.3 5.55 5
281.4 5.59 5
281.5 5.59 5
281.6 5.14 5
282.1 3.98 3
282.2 5.2 5
282.3 6.36 6
282.4 7.18 7
282.5 7.38 7
282.6 6.78 6
286.7 5.29 5
286.8 6.12 6
286.9 7.04 7
287.0 7.73 7
287.1 7.54 7
287.2 6.25 6
290.1 4.78 4
290.2 5.85 5
290.3 6.98 6
290.4 7.72 7
290.5 7.88 7
290.6 7.39 7
294.8 5.83 5
294.9 6.81 6
295.0 7.67 7
295.1 8.01 8
295.2 7.67 7
295.3 6.95 6
295.4 6.29 6
295.5 5.92 5
295.6 5.73 5
295.7 5.52 5
295.8 5.28 5
295.9 5.32 5
296.0 5.78 5
296.1 6.23 6
296.2 6.09 6
296.3 5.41 5
296.4 4.71 4
296.5 4.32 4
296.6 4.29 4
296.7 4.62 4
296.8 5.22 5
296.9 5.78 5
297.0 6.08 6
297.1 6.16 6
297.2 6.04 6
297.3 5.51 5
297.9 4.44 4
298.0 5.46 5
298.1 6.72 6
298.2 7.66 7
298.3 7.7 7
298.4 6.97 6
298.5 6.19 6
298.6 5.76 5
298.7 5.6 5
298.8 5.63 5
298.9 5.87 5
299.0 6.2 6
299.1 6.33 6
299.2 6.17 6
299.3 5.96 5
299.4 5.97 5
299.5 6.0 5
299.6 5.72 5
299.7 5.05 5
299.8 4.29 4
299.9 3.94 3
300.0 4.29 4
300.1 5.16 5
300.2 6.15 6
300.3 6.87 6
300.4 7.07 7
300.5 6.73 6
300.6 6.0 5
303.4 2.67 2
303.5 3.96 3
303.6 5.39 5
303.7 6.35 6
303.8 6.53 6
303.9 6.21 6
304.0 6.0 5
304.1 6.23 6
304.2 6.66 6
304.3 6.72 6
304.4 6.16 6
304.5 5.36 5
304.6 4.99 4
304.7 5.4 5
304.8 6.32 6
304.9 7.06 7
305.0 7.06 7
305.1 6.28 6
305.2 5.32 5
305.3 4.69 4
305.4 4.39 4
305.5 4.07 4
305.6 3.78 3
305.7 4.0 3
305.8 4.93 4
305.9 6.09 6
306.0 6.72 6
306.1 6.44 6
306.2 5.53 5
306.3 4.58 4
306.4 4.16 4
306.5 4.46 4
306.6 5.2 5
306.7 5.87 5
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//
