MassBank Record: MSBNK-RIKEN_NPDepo-NGA03173
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03173
RECORD_TITLE: Hyrcanogenin; 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$NAME: Hyrcanogenin
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C23H30O5
CH$EXACT_MASS: 386.4926
CH$SMILES: C[C@]12CCC3C(CCC4=CC(O)CC[C@@]43C=O)C1(O)CCC2C1=CC(=O)OC1
CH$IUPAC: InChI=1S/C23H30O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10-11,13,16-19,25,27H,2-9,12H2,1H3/t16?,17?,18?,19?,21-,22-,23?/m1/s1
CH$LINK: CAS
14530-91-7
CH$LINK: INCHIKEY
JPIDFRQBAGAXJM-NGIHOKHASA-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: splash10-00mk-0910000000-6b5be707da28aea92c44
PK$NUM_PEAK: 753
PK$PEAK: m/z int. rel.int.
66.6 1.92 1
66.7 3.69 3
66.8 5.58 5
66.9 7.12 7
67.0 8.42 8
67.1 9.56 9
67.2 9.91 9
67.3 8.53 8
67.4 5.44 5
67.5 2.11 2
78.6 1.61 1
78.7 3.38 3
78.8 5.05 5
78.9 6.1 6
79.0 6.7 6
79.1 7.44 7
79.2 8.17 8
79.3 7.79 7
79.4 5.58 5
79.5 2.5 2
80.5 2.17 2
80.6 4.17 4
80.7 6.87 6
80.8 10.05 10
80.9 13.22 13
81.0 15.5 15
81.1 15.85 15
81.2 13.68 13
81.3 9.46 9
81.4 4.79 4
81.5 1.42 1
90.3 0.76 0
90.4 3.29 3
90.5 7.39 7
90.6 11.11 11
90.7 13.51 13
90.8 15.65 15
90.9 18.65 18
91.0 21.53 21
91.1 22.27 22
91.2 20.16 20
91.3 15.83 15
91.4 10.19 10
91.5 4.56 4
92.4 1.46 1
92.5 3.56 3
92.6 6.11 6
92.7 8.26 8
92.8 9.99 9
92.9 12.07 12
93.0 14.72 14
93.1 16.87 16
93.2 16.89 16
93.3 14.02 14
93.4 9.14 9
93.5 4.24 4
94.5 2.6 2
94.6 4.54 4
94.7 6.82 6
94.8 9.52 9
94.9 11.9 11
95.0 12.88 12
95.1 12.06 12
95.2 10.19 10
95.3 7.99 7
95.4 5.47 5
95.5 2.78 2
104.3 1.41 1
104.4 2.96 2
104.5 4.63 4
104.6 6.3 6
104.7 8.43 8
104.8 11.48 11
104.9 15.24 15
105.0 18.64 18
105.1 20.34 20
105.2 19.72 19
105.3 16.87 16
105.4 12.17 12
105.5 6.6 6
105.6 1.93 1
106.6 3.54 3
106.7 4.83 4
106.8 6.96 6
106.9 9.9 9
107.0 12.98 12
107.1 15.14 15
107.2 15.43 15
107.3 13.41 13
107.4 9.41 9
107.5 4.74 4
107.6 1.28 1
108.4 1.51 1
108.5 3.29 3
108.6 5.79 5
108.7 8.56 8
108.8 11.03 11
108.9 13.33 13
109.0 15.9 15
109.1 18.11 18
109.2 18.1 18
109.3 14.79 14
109.4 9.36 9
109.5 4.14 4
116.3 0.76 0
116.4 2.5 2
116.5 5.85 5
116.6 10.35 10
116.7 15.81 15
116.8 22.56 22
116.9 29.61 29
117.0 34.01 33
117.1 33.78 33
117.2 29.74 29
117.3 23.29 23
117.4 14.95 14
117.5 6.37 6
117.6 0.79 0
118.2 0.58 0
118.3 2.78 2
118.4 7.2 7
118.5 13.62 13
118.6 21.32 21
118.7 30.84 30
118.8 44.25 44
118.9 61.49 61
119.0 76.96 76
119.1 83.45 83
119.2 78.98 78
119.3 66.38 66
119.4 48.1 48
119.5 26.74 26
119.6 8.25 8
119.7 0.01 0
120.6 2.66 2
120.7 3.9 3
120.8 5.52 5
120.9 7.95 7
121.0 11.3 11
121.1 14.31 14
121.2 14.85 14
121.3 11.96 11
121.4 7.04 7
121.5 2.71 2
124.2 0.15 0
124.3 1.4 1
124.4 6.15 6
124.5 13.99 13
124.6 22.77 22
124.7 31.0 30
124.8 40.47 40
124.9 53.74 53
125.0 68.63 68
125.1 77.81 77
125.2 75.27 75
125.3 61.34 61
125.4 41.26 41
125.5 21.38 21
125.6 7.08 7
125.7 0.76 0
128.3 1.95 1
128.4 3.25 3
128.5 4.87 4
128.6 7.12 7
128.7 9.69 9
128.8 11.99 11
128.9 13.91 13
129.0 15.32 15
129.1 15.5 15
129.2 14.07 14
129.3 11.55 11
129.4 8.52 8
129.5 5.15 5
129.6 2.07 2
130.3 1.84 1
130.4 3.11 3
130.5 5.34 5
130.6 8.67 8
130.7 13.35 13
130.8 19.67 19
130.9 26.78 26
131.0 32.14 32
131.1 33.51 33
131.2 30.76 30
131.3 25.04 25
131.4 17.52 17
131.5 9.86 9
131.6 4.06 4
132.4 1.0 0
132.5 2.54 2
132.6 5.75 5
132.7 10.6 10
132.8 16.21 16
132.9 21.3 21
133.0 24.5 24
133.1 25.09 25
133.2 23.52 23
133.3 20.59 20
133.4 16.25 16
133.5 10.27 10
133.6 4.08 4
134.6 3.38 3
134.7 4.12 4
134.8 6.21 6
134.9 10.12 10
135.0 13.94 13
135.1 15.23 15
135.2 13.54 13
135.3 10.17 10
135.4 6.41 6
135.5 3.05 3
136.7 2.66 2
136.8 4.12 4
136.9 5.81 5
137.0 7.16 7
137.1 7.35 7
137.2 6.11 6
137.3 4.09 4
140.4 0.96 0
140.5 2.51 2
140.6 5.26 5
140.7 9.26 9
140.8 13.31 13
140.9 15.76 15
141.0 16.64 16
141.1 17.32 17
141.2 17.57 17
141.3 15.2 15
141.4 9.57 9
141.5 3.49 3
142.2 0.99 0
142.3 3.51 3
142.4 6.87 6
142.5 9.3 9
142.6 10.85 10
142.7 14.93 14
142.8 24.53 24
142.9 36.95 36
143.0 45.69 45
143.1 47.43 47
143.2 43.5 43
143.3 35.26 35
143.4 23.08 23
143.5 9.98 9
143.6 1.22 1
144.3 2.14 2
144.4 4.38 4
144.5 8.42 8
144.6 13.16 13
144.7 20.69 20
144.8 36.81 36
144.9 62.62 62
145.0 88.01 87
145.1 99.99 99
145.2 95.43 95
145.3 80.21 80
145.4 59.53 59
145.5 36.01 35
145.6 14.67 14
145.7 1.47 1
146.4 0.2 0
146.5 1.69 1
146.6 5.18 5
146.7 10.18 10
146.8 15.49 15
146.9 19.45 19
147.0 20.63 20
147.1 19.15 19
147.2 16.35 16
147.3 13.04 13
147.4 9.06 9
147.5 4.8 4
147.6 1.56 1
148.6 0.59 0
148.7 2.32 2
148.8 4.89 4
148.9 7.22 7
149.0 8.94 8
149.1 10.15 10
149.2 10.04 10
149.3 7.52 7
149.4 3.48 3
152.3 1.13 1
152.4 3.39 3
152.5 7.15 7
152.6 11.82 11
152.7 17.54 17
152.8 25.38 25
152.9 35.03 34
153.0 43.53 43
153.1 47.93 47
153.2 47.57 47
153.3 42.42 42
153.4 31.87 31
153.5 17.62 17
153.6 5.05 5
154.4 3.27 3
154.5 5.41 5
154.6 9.11 9
154.7 13.91 13
154.8 19.23 19
154.9 24.83 24
155.0 30.46 30
155.1 35.08 35
155.2 36.69 36
155.3 33.26 33
155.4 24.59 24
155.5 13.48 13
155.6 4.39 4
156.5 2.47 2
156.6 4.47 4
156.7 7.8 7
156.8 12.95 12
156.9 19.91 19
157.0 26.28 26
157.1 28.49 28
157.2 26.04 26
157.3 21.93 21
157.4 17.84 17
157.5 12.51 12
157.6 5.88 5
158.3 3.4 3
158.4 4.98 4
158.5 8.59 8
158.6 14.08 14
158.7 20.43 20
158.8 27.13 27
158.9 34.02 33
159.0 40.24 40
159.1 44.75 44
159.2 46.59 46
159.3 43.46 43
159.4 33.11 33
159.5 17.85 17
159.6 4.62 4
160.4 1.4 1
160.5 3.09 3
160.6 5.59 5
160.7 8.46 8
160.8 10.74 10
160.9 11.85 11
161.0 12.54 12
161.1 13.93 13
161.2 15.38 15
161.3 14.64 14
161.4 10.66 10
161.5 5.26 5
161.6 1.22 1
162.6 1.87 1
162.7 3.21 3
162.8 5.55 5
162.9 7.72 7
163.0 8.16 8
163.1 6.91 6
163.2 5.24 5
163.3 3.81 3
166.5 0.48 0
166.6 2.43 2
166.7 5.92 5
166.8 9.05 9
166.9 9.94 9
167.0 9.04 9
167.1 8.28 8
167.2 8.27 8
167.3 7.77 7
167.4 5.87 5
167.5 3.3 3
168.4 2.38 2
168.5 4.11 4
168.6 6.33 6
168.7 9.61 9
168.8 14.1 14
168.9 19.28 19
169.0 24.32 24
169.1 27.98 27
169.2 28.93 28
169.3 26.69 26
169.4 21.63 21
169.5 14.46 14
169.6 6.86 6
169.7 1.64 1
170.3 0.42 0
170.4 2.14 2
170.5 5.53 5
170.6 10.44 10
170.7 16.13 16
170.8 21.66 21
170.9 27.34 27
171.0 34.99 34
171.1 44.74 44
171.2 52.08 52
171.3 50.38 50
171.4 37.83 37
171.5 20.23 20
171.6 6.04 6
172.4 1.68 1
172.5 4.0 3
172.6 8.57 8
172.7 14.62 14
172.8 20.39 20
172.9 24.36 24
173.0 26.25 26
173.1 26.64 26
173.2 25.63 25
173.3 22.18 22
173.4 15.56 15
173.5 7.45 7
173.6 1.43 1
174.6 3.29 3
174.7 5.22 5
174.8 8.63 8
174.9 11.93 11
175.0 14.06 14
175.1 15.67 15
175.2 16.85 16
175.3 15.89 15
175.4 11.73 11
175.5 6.06 6
175.6 1.74 1
176.5 1.64 1
176.6 2.93 2
176.7 5.5 5
176.8 9.2 9
176.9 12.62 12
177.0 13.97 13
177.1 13.17 13
177.2 11.75 11
177.3 10.27 10
177.4 7.73 7
177.5 4.07 4
178.7 2.93 2
178.8 4.21 4
178.9 6.29 6
179.0 8.69 8
179.1 9.62 9
179.2 8.03 8
179.3 4.99 4
180.7 2.86 2
180.8 6.38 6
180.9 12.3 12
181.0 17.99 17
181.1 20.87 20
181.2 20.57 20
181.3 17.78 17
181.4 12.7 12
181.5 6.31 6
182.5 4.24 4
182.6 5.33 5
182.7 7.74 7
182.8 11.64 11
182.9 15.71 15
183.0 18.76 18
183.1 20.4 20
183.2 19.76 19
183.3 15.64 15
183.4 8.89 8
183.5 2.79 2
184.5 2.53 2
184.6 5.1 5
184.7 8.99 8
184.8 14.44 14
184.9 21.54 21
185.0 28.43 28
185.1 32.29 32
185.2 32.49 32
185.3 30.21 30
185.4 25.14 25
185.5 16.47 16
185.6 6.65 6
185.7 0.46 0
186.5 2.15 2
186.6 4.31 4
186.7 8.79 8
186.8 14.52 14
186.9 20.25 20
187.0 25.26 25
187.1 28.41 28
187.2 28.29 28
187.3 24.92 24
187.4 19.54 19
187.5 12.93 12
187.6 6.02 6
187.7 1.07 1
189.0 4.25 4
189.1 5.38 5
189.2 7.05 7
189.3 8.72 8
189.4 8.74 8
189.5 6.31 6
189.6 2.86 2
190.8 2.48 2
190.9 4.33 4
191.0 6.17 6
191.1 6.98 6
191.2 6.41 6
191.3 4.94 4
191.4 3.19 3
192.9 4.81 4
193.0 6.38 6
193.1 8.37 8
193.2 9.68 9
193.3 9.15 9
193.4 6.63 6
193.5 3.31 3
194.5 1.9 1
194.6 4.39 4
194.7 9.37 9
194.8 14.67 14
194.9 18.11 18
195.0 19.55 19
195.1 19.74 19
195.2 18.34 18
195.3 14.69 14
195.4 9.59 9
195.5 4.8 4
196.5 4.29 4
196.6 6.57 6
196.7 8.99 8
196.8 11.62 11
196.9 16.3 16
197.0 24.08 24
197.1 31.93 31
197.2 34.59 34
197.3 29.88 29
197.4 20.51 20
197.5 10.9 10
197.6 4.03 4
198.6 2.97 2
198.7 4.33 4
198.8 7.84 7
198.9 13.4 13
199.0 19.08 19
199.1 22.12 22
199.2 20.67 20
199.3 15.22 15
199.4 8.41 8
199.5 3.07 3
200.7 3.72 3
200.8 4.95 4
200.9 6.34 6
201.0 7.82 7
201.1 9.67 9
201.2 11.41 11
201.3 11.16 11
201.4 7.84 7
201.5 3.2 3
204.9 3.93 3
205.0 5.65 5
205.1 7.22 7
205.2 8.08 8
205.3 7.6 7
205.4 5.46 5
205.5 2.55 2
206.8 2.9 2
206.9 3.94 3
207.0 4.96 4
207.1 6.38 6
207.2 8.15 8
207.3 9.3 9
207.4 8.56 8
207.5 5.8 5
207.6 2.52 2
208.7 2.48 2
208.8 4.25 4
208.9 6.78 6
209.0 9.69 9
209.1 12.44 12
209.2 14.5 14
209.3 15.1 15
209.4 13.36 13
209.5 9.35 9
209.6 4.78 4
210.6 4.61 4
210.7 5.88 5
210.8 8.81 8
210.9 13.6 13
211.0 18.55 18
211.1 21.47 21
211.2 21.64 21
211.3 19.36 19
211.4 14.79 14
211.5 8.62 8
211.6 2.96 2
212.7 1.1 1
212.8 2.76 2
212.9 4.76 4
213.0 6.24 6
213.1 6.83 6
213.2 6.65 6
213.3 5.76 5
213.4 4.18 4
214.5 1.98 1
214.6 3.44 3
214.7 6.0 5
214.8 8.82 8
214.9 10.08 10
215.0 8.89 8
216.9 3.75 3
217.0 5.69 5
217.1 8.88 8
217.2 11.56 11
217.3 11.38 11
217.4 7.98 7
217.5 3.7 3
220.7 4.39 4
220.8 5.58 5
220.9 7.79 7
221.0 11.19 11
221.1 14.29 14
221.2 15.45 15
221.3 14.1 14
221.4 10.66 10
221.5 6.31 6
221.6 2.72 2
222.7 1.75 1
222.8 3.67 3
222.9 6.14 6
223.0 8.09 8
223.1 8.99 8
223.2 8.92 8
223.3 7.87 7
223.4 5.68 5
223.5 2.88 2
226.8 2.78 2
226.9 4.23 4
227.0 5.56 5
227.1 6.17 6
227.2 5.84 5
227.3 4.87 4
227.4 3.62 3
232.6 0.57 0
232.7 2.01 2
232.8 4.75 4
232.9 7.25 7
233.0 7.99 7
233.1 7.41 7
233.2 7.27 7
233.3 7.77 7
233.4 7.21 7
233.5 4.67 4
234.7 2.11 2
234.8 5.1 5
234.9 9.85 9
235.0 13.8 13
235.1 14.01 13
235.2 10.26 10
235.3 5.6 5
235.4 2.95 2
238.8 1.0 0
238.9 2.5 2
239.0 4.54 4
239.1 6.1 6
239.2 6.09 6
239.3 4.53 4
239.4 2.62 2
248.5 1.17 1
248.6 2.98 2
248.7 4.97 4
248.8 5.84 5
248.9 5.4 5
249.0 4.63 4
249.1 4.57 4
249.2 5.33 5
249.3 5.98 5
249.4 5.43 5
249.5 3.56 3
260.7 1.01 1
260.8 2.68 2
260.9 5.65 5
261.0 8.78 8
261.1 10.08 10
261.2 8.6 8
261.3 5.51 5
261.4 2.84 2
262.6 0.58 0
262.7 1.77 1
262.8 5.36 5
262.9 10.59 10
263.0 14.74 14
263.1 15.44 15
263.2 13.46 13
263.3 11.28 11
263.4 9.52 9
263.5 6.9 6
263.6 3.33 3
273.1 1.61 1
273.2 3.25 3
273.3 4.83 4
273.4 4.79 4
273.5 2.97 2
276.5 1.74 1
276.6 3.02 3
276.7 5.18 5
276.8 7.54 7
276.9 9.47 9
277.0 10.91 10
277.1 12.07 12
277.2 12.78 12
277.3 12.34 12
277.4 10.01 9
277.5 6.09 6
277.6 2.25 2
286.8 2.21 2
286.9 3.57 3
287.0 5.29 5
287.1 7.5 7
287.2 9.41 9
287.3 9.58 9
287.4 7.58 7
287.5 4.49 4
287.6 1.85 1
304.6 1.57 1
304.7 3.28 3
304.8 5.16 5
304.9 7.12 7
305.0 8.9 8
305.1 10.19 10
305.2 11.29 11
305.3 12.16 12
305.4 11.32 11
305.5 7.66 7
305.6 2.87 2
322.5 1.83 1
322.6 3.86 3
322.7 5.92 5
322.8 7.75 7
322.9 9.8 9
323.0 12.42 12
323.1 15.21 15
323.2 17.58 17
323.3 18.92 18
323.4 17.98 17
323.5 13.55 13
323.6 6.79 6
323.7 1.35 1
332.9 4.41 4
333.0 7.42 7
333.1 11.89 11
333.2 15.83 15
333.3 16.28 16
333.4 12.08 12
333.5 5.69 5
333.6 1.04 1
350.6 2.23 2
350.7 3.96 3
350.8 6.14 6
350.9 8.54 8
351.0 11.04 11
351.1 13.11 13
351.2 13.75 13
351.3 12.03 12
351.4 8.1 8
351.5 3.59 3
//
