MassBank Record: MSBNK-RIKEN_NPDepo-NGA02090
ACCESSION: MSBNK-RIKEN_NPDepo-NGA02090
RECORD_TITLE: Poststerone; 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, Pregnanes
CH$NAME: Poststerone
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C21H30O5
CH$EXACT_MASS: 362.4703
CH$SMILES: CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C
CH$IUPAC: InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12?,13?,15?,17?,18?,19-,20-,21-/m1/s1
CH$LINK: CAS
10162-99-9
CH$LINK: CHEMSPIDER
390412 4478702
CH$LINK: INCHIKEY
VNLQNGYIXVTQRR-BLMSIPRSSA-N
AC$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$SPLASH: splash10-02t9-0796000000-7c3bca2295f49b9208b5
PK$NUM_PEAK: 487
PK$PEAK: m/z int. rel.int.
84.6 2.46 2
84.7 3.74 3
84.8 6.75 6
84.9 11.23 11
85.0 15.05 15
85.1 15.83 15
85.2 13.29 13
85.3 9.26 9
85.4 5.47 5
85.5 2.52 2
92.7 0.99 0
92.8 2.36 2
92.9 4.12 4
93.0 5.47 5
93.1 5.58 5
93.2 4.47 4
93.3 2.96 2
106.6 1.53 1
106.7 3.0 2
106.8 4.48 4
106.9 5.31 5
107.0 5.38 5
107.1 5.1 5
107.2 4.68 4
107.3 3.76 3
107.4 2.23 2
120.7 2.42 2
120.8 3.85 3
120.9 5.13 5
121.0 5.7 5
121.1 5.35 5
121.2 4.28 4
121.3 2.82 2
130.7 2.24 2
130.8 3.84 3
130.9 5.69 5
131.0 7.31 7
131.1 8.22 8
131.2 7.88 7
131.3 6.08 6
131.4 3.42 3
132.5 1.36 1
132.6 3.74 3
132.7 6.69 6
132.8 8.71 8
132.9 9.11 9
133.0 8.42 8
133.1 7.2 7
133.2 5.43 5
133.3 3.29 3
134.7 1.6 1
134.8 2.98 2
134.9 4.2 4
135.0 4.72 4
135.1 4.32 4
135.2 3.24 3
135.3 2.06 2
135.4 1.21 1
135.5 0.71 0
135.6 0.38 0
135.7 0.19 0
135.8 0.15 0
135.9 0.18 0
136.0 0.21 0
136.1 0.22 0
136.2 0.24 0
136.3 0.28 0
136.4 0.43 0
136.5 0.75 0
136.6 1.37 1
136.7 2.21 2
136.8 3.25 3
136.9 4.4 4
137.0 5.19 5
137.1 4.93 4
137.2 3.49 3
144.7 2.14 2
144.8 3.68 3
144.9 6.14 6
145.0 8.38 8
145.1 9.07 9
145.2 8.0 7
145.3 5.96 5
145.4 3.72 3
146.4 0.72 0
146.5 1.96 1
146.6 4.33 4
146.7 7.34 7
146.8 9.76 9
146.9 11.11 11
147.0 12.09 12
147.1 13.55 13
147.2 15.25 15
147.3 15.82 15
147.4 13.67 13
147.5 8.74 8
147.6 3.28 3
148.7 1.3 1
148.8 3.03 3
148.9 4.9 4
149.0 5.97 5
149.1 5.67 5
149.2 4.33 4
149.3 2.74 2
154.6 1.91 1
154.7 3.26 3
154.8 4.42 4
154.9 5.05 5
155.0 5.36 5
155.1 5.61 5
155.2 5.42 5
155.3 4.19 4
155.4 2.2 2
156.6 1.36 1
156.7 2.77 2
156.8 4.26 4
156.9 5.3 5
157.0 5.62 5
157.1 5.58 5
157.2 5.67 5
157.3 5.76 5
157.4 5.12 5
157.5 3.49 3
158.4 0.86 0
158.5 2.25 2
158.6 4.0 3
158.7 6.4 6
158.8 10.04 10
158.9 14.07 14
159.0 16.31 16
159.1 16.02 16
159.2 14.69 14
159.3 13.3 13
159.4 10.86 10
159.5 6.7 6
159.6 2.38 2
161.0 4.89 4
161.1 7.77 7
161.2 11.61 11
161.3 13.29 13
161.4 10.94 10
161.5 5.97 5
161.6 1.56 1
166.6 1.38 1
166.7 2.59 2
166.8 5.42 5
166.9 10.03 10
167.0 14.75 14
167.1 17.51 17
167.2 17.57 17
167.3 15.37 15
167.4 11.46 11
167.5 6.66 6
167.6 2.42 2
168.7 1.22 1
168.8 2.58 2
168.9 4.47 4
169.0 6.41 6
169.1 8.08 8
169.2 9.04 9
169.3 8.43 8
169.4 5.98 5
169.5 2.89 2
170.6 1.26 1
170.7 3.19 3
170.8 6.17 6
170.9 9.17 9
171.0 10.92 10
171.1 11.08 11
171.2 10.62 10
171.3 10.32 10
171.4 9.45 9
171.5 6.86 6
171.6 3.18 3
172.4 1.2 1
172.5 2.82 2
172.6 5.05 5
172.7 8.36 8
172.8 14.17 14
172.9 22.82 22
173.0 32.02 31
173.1 38.3 38
173.2 39.26 39
173.3 34.09 34
173.4 23.59 23
173.5 11.22 11
173.6 1.99 1
174.6 2.0 1
174.7 3.37 3
174.8 5.25 5
174.9 6.71 6
175.0 6.97 6
175.1 6.34 6
175.2 5.81 5
175.3 5.68 5
175.4 5.12 5
175.5 3.46 3
184.6 1.07 1
184.7 2.79 2
184.8 4.77 4
184.9 5.94 5
185.0 5.85 5
185.1 5.08 5
185.2 4.37 4
185.3 3.86 3
185.4 3.16 3
185.5 2.12 2
185.6 1.02 1
185.7 0.3 0
185.8 0.11 0
185.9 0.17 0
186.0 0.24 0
186.1 0.2 0
186.2 0.08 0
186.3 0.13 0
186.4 0.47 0
186.5 1.59 1
186.6 4.49 4
186.7 9.56 9
186.8 17.05 17
186.9 26.41 26
187.0 35.71 35
187.1 42.53 42
187.2 45.48 45
187.3 43.61 43
187.4 35.47 35
187.5 21.69 21
187.6 7.52 7
187.7 0.43 0
188.7 2.1 2
188.8 4.3 4
188.9 6.44 6
189.0 7.2 7
189.1 6.6 6
189.2 5.71 5
189.3 5.1 5
189.4 4.31 4
189.5 2.89 2
190.7 1.53 1
190.8 3.33 3
190.9 6.1 6
191.0 8.81 8
191.1 10.46 10
191.2 10.93 10
191.3 10.18 10
191.4 7.8 7
191.5 4.2 4
196.5 1.56 1
196.6 3.18 3
196.7 5.36 5
196.8 8.03 8
196.9 10.67 10
197.0 12.55 12
197.1 13.42 13
197.2 13.45 13
197.3 12.53 12
197.4 10.06 10
197.5 6.2 6
197.6 2.46 2
202.8 1.43 1
202.9 2.91 2
203.0 4.26 4
203.1 4.58 4
203.2 3.72 3
204.8 2.46 2
204.9 5.14 5
205.0 9.18 9
205.1 12.64 12
205.2 13.61 13
205.3 11.55 11
205.4 7.49 7
205.5 3.32 3
214.4 0.33 0
214.5 3.76 3
214.6 10.12 10
214.7 20.63 20
214.8 37.15 37
214.9 57.84 57
215.0 76.5 76
215.1 89.02 88
215.2 96.48 96
215.3 98.11 98
215.4 87.44 87
215.5 61.56 61
215.6 29.55 29
215.7 6.17 6
215.8 0.0 0
224.8 1.77 1
224.9 3.67 3
225.0 6.73 6
225.1 10.01 9
225.2 11.9 11
225.3 11.39 11
225.4 8.77 8
225.5 5.25 5
225.6 2.21 2
226.8 2.25 2
226.9 3.53 3
227.0 5.02 5
227.1 6.89 6
227.2 8.59 8
227.3 8.63 8
227.4 6.32 6
227.5 2.97 2
232.3 0.43 0
232.4 1.75 1
232.5 4.16 4
232.6 7.71 7
232.7 12.81 12
232.8 20.08 20
232.9 29.74 29
233.0 40.72 40
233.1 50.43 50
233.2 55.97 55
233.3 55.05 54
233.4 46.14 46
233.5 30.24 30
233.6 12.87 12
233.7 1.41 1
238.7 2.03 2
238.8 3.43 3
238.9 5.56 5
239.0 8.27 8
239.1 10.89 10
239.2 12.59 12
239.3 12.74 12
239.4 10.93 10
239.5 7.28 7
239.6 3.06 3
248.7 2.22 2
248.8 3.93 3
248.9 5.48 5
249.0 6.55 6
249.1 7.56 7
249.2 8.96 8
249.3 9.99 9
249.4 9.11 9
249.5 5.97 5
249.6 2.26 2
256.8 1.7 1
256.9 2.98 2
257.0 5.33 5
257.1 8.0 7
257.2 9.62 9
257.3 9.14 9
257.4 6.64 6
257.5 3.33 3
264.8 2.05 2
264.9 3.06 3
265.0 3.94 3
265.1 5.08 5
265.2 6.22 6
265.3 6.18 6
265.4 4.42 4
265.5 2.01 2
266.5 1.36 1
266.6 3.98 3
266.7 7.87 7
266.8 12.74 12
266.9 19.14 19
267.0 28.0 27
267.1 38.34 38
267.2 46.03 45
267.3 46.26 46
267.4 37.58 37
267.5 23.49 23
267.6 10.07 10
267.7 1.86 1
268.7 1.31 1
268.8 2.62 2
268.9 3.68 3
269.0 4.1 4
269.1 4.06 4
269.2 4.04 4
269.3 4.02 4
269.4 3.52 3
280.8 1.71 1
280.9 3.33 3
281.0 6.71 6
281.1 10.74 10
281.2 13.31 13
281.3 12.81 12
281.4 9.33 9
281.5 4.71 4
281.6 1.15 1
284.5 1.47 1
284.6 2.35 2
284.7 4.16 4
284.8 8.52 8
284.9 15.57 15
285.0 23.02 22
285.1 28.73 28
285.2 32.49 32
285.3 33.77 33
285.4 30.14 30
285.5 20.64 20
285.6 9.07 9
285.7 1.04 1
286.7 0.76 0
286.8 2.97 2
286.9 5.77 5
287.0 7.44 7
287.1 7.08 7
287.2 5.62 5
287.3 4.51 4
287.4 3.85 3
287.5 2.82 2
290.7 1.09 1
290.8 2.7 2
290.9 5.61 5
291.0 9.05 9
291.1 12.31 12
291.2 14.59 14
291.3 14.58 14
291.4 11.43 11
291.5 6.35 6
291.6 1.94 1
298.9 1.59 1
299.0 3.59 3
299.1 5.21 5
299.2 5.39 5
299.3 4.22 4
299.4 2.62 2
302.8 2.3 2
302.9 4.38 4
303.0 7.21 7
303.1 9.47 9
303.2 9.74 9
303.3 7.9 7
303.4 5.23 5
303.5 3.04 3
308.5 0.14 0
308.6 1.18 1
308.7 4.42 4
308.8 9.71 9
308.9 16.67 16
309.0 24.64 24
309.1 32.19 32
309.2 37.02 36
309.3 37.07 37
309.4 31.71 31
309.5 22.06 22
309.6 11.13 11
309.7 2.82 2
326.4 1.83 1
326.5 3.0 2
326.6 3.58 3
326.7 5.0 4
326.8 10.17 10
326.9 20.63 20
327.0 34.94 34
327.1 49.57 49
327.2 60.03 59
327.3 61.74 61
327.4 52.28 52
327.5 34.36 34
327.6 15.51 15
327.7 2.98 2
344.4 1.34 1
344.5 3.29 3
344.6 5.7 5
344.7 9.29 9
344.8 15.75 15
344.9 25.99 25
345.0 38.72 38
345.1 51.37 51
345.2 61.69 61
345.3 66.31 66
345.4 60.14 60
345.5 41.65 41
345.6 18.25 18
345.7 1.66 1
362.4 0.34 0
362.5 3.07 3
362.6 7.96 7
362.7 13.57 13
362.8 21.79 21
362.9 36.23 36
363.0 56.92 56
363.1 78.35 78
363.2 94.02 93
363.3 100.0 99
363.4 93.31 93
363.5 72.02 71
363.6 40.82 40
363.7 12.27 12
363.8 0.13 0
//
