MassBank Record: MSBNK-RIKEN_NPDepo-NGA03174
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03174
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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: splash10-0fkc-0925000000-b0ab4222ddd661e95e5c
PK$NUM_PEAK: 685
PK$PEAK: m/z int. rel.int.
90.7 2.66 2
90.8 3.81 3
90.9 5.05 5
91.0 5.93 5
91.1 5.81 5
91.2 4.55 4
91.3 2.8 2
94.7 1.66 1
94.8 2.77 2
94.9 4.72 4
95.0 6.97 6
95.1 8.01 8
95.2 6.8 6
95.3 4.02 4
95.4 1.42 1
108.5 1.62 1
108.6 2.71 2
108.7 4.02 4
108.8 5.56 5
108.9 6.93 6
109.0 7.62 7
109.1 7.69 7
109.2 7.3 7
109.3 6.16 6
109.4 4.13 4
109.5 1.92 1
116.4 1.01 1
116.5 2.33 2
116.6 4.12 4
116.7 6.28 6
116.8 8.4 8
116.9 9.79 9
117.0 10.53 10
117.1 11.59 11
117.2 13.16 13
117.3 13.45 13
117.4 10.59 10
117.5 5.45 5
117.6 1.1 1
118.4 1.7 1
118.5 2.98 2
118.6 5.24 5
118.7 9.62 9
118.8 16.64 16
118.9 24.94 24
119.0 31.59 31
119.1 34.1 34
119.2 32.06 32
119.3 26.51 26
119.4 18.64 18
119.5 10.01 9
119.6 3.0 2
120.9 3.25 3
121.0 4.58 4
121.1 5.98 5
121.2 6.54 6
121.3 5.72 5
121.4 3.89 3
121.5 1.92 1
124.4 1.58 1
124.5 3.28 3
124.6 6.55 6
124.7 11.57 11
124.8 17.8 17
124.9 23.31 23
125.0 25.97 25
125.1 25.77 25
125.2 24.27 24
125.3 21.47 21
125.4 15.87 15
125.5 8.09 8
125.6 1.66 1
130.4 1.21 1
130.5 2.53 2
130.6 3.94 3
130.7 5.57 5
130.8 7.68 7
130.9 10.18 10
131.0 12.12 12
131.1 12.51 12
131.2 11.12 11
131.3 8.29 8
131.4 4.77 4
131.5 1.74 1
132.5 1.06 1
132.6 2.6 2
132.7 4.98 4
132.8 7.73 7
132.9 10.14 10
133.0 11.68 11
133.1 12.62 12
133.2 13.62 13
133.3 13.99 13
133.4 11.81 11
133.5 6.87 6
133.6 1.86 1
134.6 2.01 2
134.7 3.09 3
134.8 4.52 4
134.9 5.83 5
135.0 7.22 7
135.1 9.2 9
135.2 10.84 10
135.3 10.14 10
135.4 6.72 6
135.5 2.67 2
140.5 1.96 1
140.6 3.1 3
140.7 4.22 4
140.8 5.56 5
140.9 7.41 7
141.0 9.59 9
141.1 11.24 11
141.2 11.14 11
141.3 8.8 8
141.4 5.19 5
141.5 2.06 2
142.4 1.73 1
142.5 2.85 2
142.6 4.1 4
142.7 6.05 6
142.8 9.38 9
142.9 13.83 13
143.0 17.99 17
143.1 20.47 20
143.2 20.8 20
143.3 18.69 18
143.4 13.8 13
143.5 7.19 7
143.6 1.72 1
144.2 0.78 0
144.3 2.3 2
144.4 4.35 4
144.5 5.74 5
144.6 6.92 6
144.7 10.17 10
144.8 16.89 16
144.9 25.67 25
145.0 33.38 33
145.1 36.92 36
145.2 34.6 34
145.3 27.38 27
145.4 18.28 18
145.5 10.07 10
145.6 3.99 3
146.5 1.26 1
146.6 2.46 2
146.7 4.49 4
146.8 7.06 7
146.9 9.46 9
147.0 11.04 11
147.1 11.39 11
147.2 10.4 10
147.3 8.27 8
147.4 5.55 5
147.5 2.88 2
152.2 1.28 1
152.3 2.69 2
152.4 6.97 6
152.5 12.63 12
152.6 18.19 18
152.7 25.34 25
152.8 37.57 37
152.9 54.18 54
153.0 69.15 69
153.1 76.93 76
153.2 75.71 75
153.3 64.91 64
153.4 45.02 44
153.5 21.57 21
153.6 3.87 3
154.3 0.69 0
154.4 2.29 2
154.5 5.19 5
154.6 9.21 9
154.7 14.73 14
154.8 22.62 22
154.9 32.19 32
155.0 40.12 40
155.1 43.33 43
155.2 41.99 41
155.3 37.57 37
155.4 29.7 29
155.5 18.25 18
155.6 6.67 6
155.7 0.15 0
156.4 0.95 0
156.5 3.0 2
156.6 5.13 5
156.7 6.31 6
156.8 6.89 6
156.9 8.11 8
157.0 10.13 10
157.1 11.5 11
157.2 10.91 10
157.3 8.61 8
157.4 5.77 5
157.5 3.22 3
158.4 1.78 1
158.5 3.28 3
158.6 5.27 5
158.7 7.54 7
158.8 10.8 10
158.9 15.76 15
159.0 21.13 21
159.1 24.16 24
159.2 23.35 23
159.3 19.38 19
159.4 13.57 13
159.5 7.29 7
159.6 2.29 2
160.6 1.19 1
160.7 2.36 2
160.8 4.53 4
160.9 7.95 7
161.0 11.84 11
161.1 14.37 14
161.2 13.83 13
161.3 10.18 10
161.4 5.26 5
161.5 1.54 1
166.5 0.98 0
166.6 2.51 2
166.7 4.36 4
166.8 5.8 5
166.9 6.79 6
167.0 8.05 8
167.1 9.66 9
167.2 10.33 10
167.3 8.77 8
167.4 5.49 5
167.5 2.27 2
168.6 2.32 2
168.7 3.63 3
168.8 6.95 6
168.9 12.17 12
169.0 16.92 16
169.1 18.38 18
169.2 16.21 16
169.3 12.37 12
169.4 8.37 8
169.5 4.54 4
169.6 1.42 1
170.4 0.84 0
170.5 2.16 2
170.6 4.82 4
170.7 9.27 9
170.8 15.16 15
170.9 21.27 21
171.0 26.18 26
171.1 29.11 29
171.2 29.78 29
171.3 27.74 27
171.4 22.28 22
171.5 13.89 13
171.6 5.43 5
171.7 0.54 0
172.4 0.46 0
172.5 1.89 1
172.6 4.78 4
172.7 8.22 8
172.8 11.18 11
172.9 13.18 13
173.0 13.99 13
173.1 13.8 13
173.2 13.53 13
173.3 13.47 13
173.4 12.07 12
173.5 8.04 8
173.6 3.04 3
174.5 1.55 1
174.6 2.79 2
174.7 4.52 4
174.8 6.92 6
174.9 9.79 9
175.0 12.17 12
175.1 13.32 13
175.2 13.71 13
175.3 13.9 13
175.4 12.78 12
175.5 9.03 9
175.6 3.86 3
176.7 2.01 2
176.8 3.09 3
176.9 4.1 4
177.0 5.22 5
177.1 6.25 6
177.2 6.5 6
177.3 5.41 5
177.4 3.34 3
178.7 1.28 1
178.8 3.48 3
178.9 5.9 5
179.0 6.89 6
179.1 5.75 5
179.2 3.49 3
180.6 0.43 0
180.7 2.06 2
180.8 5.67 5
180.9 10.45 10
181.0 13.82 13
181.1 13.6 13
181.2 10.47 10
181.3 7.03 7
181.4 4.73 4
181.5 2.91 2
182.6 2.08 2
182.7 3.92 3
182.8 6.7 6
182.9 9.75 9
183.0 12.39 12
183.1 14.14 14
183.2 14.19 14
183.3 11.58 11
183.4 6.86 6
183.5 2.34 2
184.4 1.33 1
184.5 2.56 2
184.6 4.67 4
184.7 7.23 7
184.8 10.01 9
184.9 13.51 13
185.0 17.95 17
185.1 22.07 22
185.2 23.7 23
185.3 21.27 21
185.4 15.08 15
185.5 7.53 7
185.6 1.94 1
186.4 0.34 0
186.5 2.14 2
186.6 6.14 6
186.7 13.31 13
186.8 23.36 23
186.9 34.47 34
187.0 42.99 42
187.1 45.94 45
187.2 43.82 43
187.3 38.68 38
187.4 30.59 30
187.5 19.23 19
187.6 7.6 7
187.7 1.25 1
188.6 1.43 1
188.7 3.24 3
188.8 5.0 4
188.9 6.08 6
189.0 6.64 6
189.1 7.03 7
189.2 6.89 6
189.3 5.5 5
189.4 3.08 3
190.8 1.84 1
190.9 3.43 3
191.0 4.79 4
191.1 5.13 5
191.2 4.25 4
191.3 2.7 2
192.7 2.33 2
192.8 3.38 3
192.9 4.55 4
193.0 5.85 5
193.1 6.7 6
193.2 6.25 6
193.3 4.41 4
193.4 2.11 2
194.4 0.69 0
194.5 2.22 2
194.6 4.1 4
194.7 5.4 5
194.8 5.8 5
194.9 5.94 5
195.0 6.96 6
195.1 9.28 9
195.2 11.5 11
195.3 11.29 11
195.4 7.99 7
195.5 3.58 3
196.4 1.23 1
196.5 2.63 2
196.6 4.59 4
196.7 7.43 7
196.8 11.13 11
196.9 14.85 14
197.0 17.49 17
197.1 18.64 18
197.2 18.63 18
197.3 17.51 17
197.4 14.66 14
197.5 9.91 9
197.6 4.7 4
197.7 1.16 1
198.6 1.81 1
198.7 3.11 3
198.8 4.52 4
198.9 5.21 5
199.0 5.54 5
199.1 7.29 7
199.2 10.46 10
199.3 11.85 11
199.4 8.99 8
199.5 3.77 3
200.7 3.7 3
200.8 5.01 5
200.9 7.02 7
201.0 9.78 9
201.1 12.33 12
201.2 13.25 13
201.3 11.97 11
201.4 8.92 8
201.5 5.11 5
201.6 1.78 1
203.0 4.07 4
203.1 5.28 5
203.2 6.42 6
203.3 6.73 6
203.4 5.6 5
203.5 3.29 3
208.6 2.26 2
208.7 3.59 3
208.8 5.45 5
208.9 7.4 7
209.0 8.85 8
209.1 9.54 9
209.2 9.54 9
209.3 8.91 8
209.4 7.44 7
209.5 5.04 5
209.6 2.34 2
210.6 2.72 2
210.7 3.81 3
210.8 5.83 5
210.9 9.05 9
211.0 12.54 12
211.1 14.7 14
211.2 14.73 14
211.3 13.03 13
211.4 10.16 10
211.5 6.46 6
211.6 2.76 2
212.6 0.78 0
212.7 2.46 2
212.8 5.37 5
212.9 7.97 7
213.0 8.13 8
213.1 5.58 5
213.2 2.49 2
214.7 2.86 2
214.8 4.56 4
214.9 7.61 7
215.0 10.75 10
215.1 11.95 11
215.2 10.61 10
215.3 8.13 8
215.4 5.83 5
215.5 3.72 3
215.6 1.64 1
216.7 1.64 1
216.8 3.04 3
216.9 5.22 5
217.0 7.39 7
217.1 8.76 8
217.2 9.03 9
217.3 7.99 7
217.4 5.54 5
217.5 2.5 2
218.6 1.06 1
218.7 2.22 2
218.8 3.79 3
218.9 5.43 5
219.0 6.37 6
219.1 5.85 5
219.2 4.01 4
219.3 1.9 1
220.8 0.91 0
220.9 2.39 2
221.0 5.17 5
221.1 7.75 7
221.2 8.4 8
221.3 6.81 6
221.4 4.08 4
221.5 1.59 1
222.9 3.14 3
223.0 4.49 4
223.1 6.14 6
223.2 6.98 6
223.3 6.17 6
223.4 3.99 3
223.5 1.7 1
226.7 0.84 0
226.8 2.59 2
226.9 4.34 4
227.0 4.65 4
227.1 3.72 3
227.2 3.02 3
227.3 3.02 3
227.4 2.71 2
227.5 1.56 1
227.6 0.4 0
227.7 0.06 0
227.8 0.11 0
227.9 0.24 0
228.0 0.24 0
228.1 0.17 0
228.2 0.14 0
228.3 0.25 0
228.4 0.68 0
228.5 1.37 1
228.6 1.99 1
228.7 2.37 2
228.8 2.98 2
228.9 4.49 4
229.0 6.77 6
229.1 8.69 8
229.2 9.0 8
229.3 7.29 7
229.4 4.37 4
229.5 1.7 1
232.7 1.19 1
232.8 3.09 3
232.9 6.54 6
233.0 10.11 10
233.1 11.38 11
233.2 9.35 9
233.3 5.55 5
233.4 2.22 2
236.7 0.92 0
236.8 2.59 2
236.9 4.61 4
237.0 6.26 6
237.1 6.88 6
237.2 6.06 6
237.3 3.98 3
237.4 1.66 1
260.6 1.27 1
260.7 3.07 3
260.8 4.89 4
260.9 5.76 5
261.0 6.27 6
261.1 7.63 7
261.2 9.29 9
261.3 9.29 9
261.4 6.89 6
261.5 3.55 3
262.5 1.55 1
262.6 2.99 2
262.7 5.04 5
262.8 7.34 7
262.9 10.19 10
263.0 13.64 13
263.1 16.76 16
263.2 18.63 18
263.3 18.87 18
263.4 16.7 16
263.5 11.55 11
263.6 5.05 5
263.7 0.65 0
272.6 1.62 1
272.7 2.86 2
272.8 4.39 4
272.9 5.94 5
273.0 6.84 6
273.1 6.58 6
273.2 5.49 5
273.3 4.43 4
273.4 3.57 3
273.5 2.49 2
276.6 2.89 2
276.7 3.53 3
276.8 5.48 5
276.9 9.73 9
277.0 15.42 15
277.1 20.43 20
277.2 23.16 23
277.3 22.73 22
277.4 18.49 18
277.5 11.23 11
277.6 3.97 3
280.8 1.0 0
280.9 2.16 2
281.0 3.77 3
281.1 5.04 5
281.2 5.05 5
281.3 3.7 3
286.6 1.98 1
286.7 3.08 3
286.8 4.79 4
286.9 6.62 6
287.0 8.31 8
287.1 9.88 9
287.2 10.77 10
287.3 9.86 9
287.4 6.92 6
287.5 3.29 3
294.7 0.92 0
294.8 2.05 2
294.9 3.87 3
295.0 6.0 5
295.1 7.75 7
295.2 8.51 8
295.3 8.16 8
295.4 6.92 6
295.5 5.07 5
295.6 2.86 2
304.5 1.28 1
304.6 2.92 2
304.7 5.66 5
304.8 9.69 9
304.9 14.17 14
305.0 17.92 17
305.1 21.09 21
305.2 24.38 24
305.3 26.33 26
305.4 23.85 23
305.5 16.31 16
305.6 7.3 7
305.7 1.67 1
322.4 1.67 1
322.5 5.63 5
322.6 11.55 11
322.7 19.12 19
322.8 31.22 31
322.9 49.91 49
323.0 71.25 71
323.1 88.04 87
323.2 97.39 97
323.3 100.0 99
323.4 92.84 92
323.5 71.11 71
323.6 39.13 39
323.7 11.04 11
323.8 0.01 0
332.6 2.11 2
332.7 4.89 4
332.8 10.99 10
332.9 19.8 19
333.0 28.08 28
333.1 32.27 32
333.2 31.94 31
333.3 28.94 28
333.4 23.86 23
333.5 15.99 15
333.6 6.92 6
333.7 0.68 0
340.3 0.08 0
340.4 0.86 0
340.5 5.02 5
340.6 11.33 11
340.7 17.58 17
340.8 24.07 24
340.9 35.41 35
341.0 54.88 54
341.1 77.41 77
341.2 92.48 92
341.3 93.0 92
341.4 78.6 78
341.5 53.53 53
341.6 25.85 25
341.7 5.28 5
341.8 0.0 0
350.3 0.27 0
350.4 2.59 2
350.5 7.75 7
350.6 14.73 14
350.7 22.51 22
350.8 32.32 32
350.9 45.75 45
351.0 61.7 61
351.1 76.9 76
351.2 88.18 88
351.3 91.39 91
351.4 81.0 80
351.5 56.14 56
351.6 26.0 25
351.7 3.93 3
368.7 3.26 3
368.8 4.66 4
368.9 7.45 7
369.0 12.54 12
369.1 19.59 19
369.2 25.61 25
369.3 26.36 26
369.4 20.34 20
369.5 10.74 10
369.6 2.75 2
//
