ACCESSION: MSBNK-PFOS_research_group-FFF00205
RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20)
AUTHORS: Atsushi Yamamoto, PFOS.jp
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
CH$NAME: Progesterone
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C21H30O2
CH$EXACT_MASS: 314.22458
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(C(C)=O)C1
CH$IUPAC: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3
CH$LINK: CAS
57-83-0
CH$LINK: INCHIKEY
RJKFOVLPORLFTN-UHFFFAOYSA-N
AC$INSTRUMENT: API2000
AC$INSTRUMENT_TYPE: LC-APPI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 315.299988
MS$FOCUSED_ION: PRECURSOR_M/Z 315.400000
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0009000000-51eb18b78127b305a021
PK$NUM_PEAK: 271
PK$PEAK: m/z int. rel.int.
57.200001 1500.500000 1
69.099998 3001.000000 1
79.099998 1500.500000 1
79.500000 1500.500000 1
80.699997 3001.000000 1
81.300003 3001.000000 1
82.599998 3001.000000 1
82.900002 6002.000000 1
83.300003 4501.500000 1
84.000000 1500.500000 1
84.599998 1500.500000 1
84.900002 9003.000000 1
90.800003 1500.500000 1
91.400002 1500.500000 1
93.099998 4501.500000 1
93.300003 3001.000000 1
94.799999 6002.000000 1
95.183331 9003.000000 1
95.599998 9003.000000 1
97.090032 963321.000000 9
97.850002 6002.000000 1
98.199997 1500.500000 1
98.500000 1500.500000 1
99.099998 1500.500000 1
105.099998 4501.500000 1
105.500000 3001.000000 1
106.866669 9003.000000 1
109.087667 559686.500000 5
109.699997 1500.500000 1
111.149998 3001.000000 1
111.400002 1500.500000 1
113.149998 3001.000000 1
115.000000 1500.500000 1
119.225000 12004.000000 1
119.599998 3001.000000 1
120.800003 9003.000000 1
121.800003 1500.500000 1
122.350000 12004.000000 1
123.121427 42014.000000 1
123.900002 1500.500000 1
124.800003 1500.500000 1
125.300003 1500.500000 1
126.800003 1500.500000 1
128.399994 1500.500000 1
128.600006 1500.500000 1
129.100006 1500.500000 1
129.300003 1500.500000 1
130.000000 1500.500000 1
130.800003 4501.500000 1
131.075005 6002.000000 1
131.349998 3001.000000 1
132.699997 1500.500000 1
132.899994 6002.000000 1
133.224998 6002.000000 1
134.833328 9003.000000 1
135.133336 9003.000000 1
136.699997 3001.000000 1
136.899994 6002.000000 1
137.150002 9003.000000 1
138.949997 3001.000000 1
139.199997 1500.500000 1
143.000000 6002.000000 1
144.399994 1500.500000 1
145.046663 22507.500000 1
146.100006 1500.500000 1
146.399994 3001.000000 1
147.272724 33011.000000 1
148.300003 1500.500000 1
148.500000 1500.500000 1
148.699997 1500.500000 1
149.025002 12004.000000 1
149.600006 1500.500000 1
150.699997 1500.500000 1
151.300003 12004.000000 1
151.500000 4501.500000 1
153.300003 1500.500000 1
155.000000 1500.500000 1
155.199997 4501.500000 1
155.699997 1500.500000 1
156.250000 3001.000000 1
157.212498 12004.000000 1
158.199997 1500.500000 1
158.500000 1500.500000 1
158.971427 21007.000000 1
159.271426 21007.000000 1
159.699997 1500.500000 1
160.199997 3001.000000 1
160.399994 1500.500000 1
160.899994 12004.000000 1
161.250000 18006.000000 1
161.800003 1500.500000 1
162.300003 3001.000000 1
163.171425 42014.000000 1
164.199997 1500.500000 1
165.100003 7502.500000 1
166.899994 1500.500000 1
167.200002 4501.500000 1
169.250000 3001.000000 1
170.250000 3001.000000 1
170.919045 31510.500000 1
172.500000 6002.000000 1
173.243752 72024.000000 1
173.800003 3001.000000 1
174.250000 3001.000000 1
174.550003 3001.000000 1
174.879996 15005.000000 1
175.339999 15005.000000 1
176.100006 1500.500000 1
176.500000 3001.000000 1
177.228573 52517.500000 1
178.199997 1500.500000 1
179.099998 9003.000000 1
179.500000 3001.000000 1
180.600006 1500.500000 1
181.050003 3001.000000 1
182.000000 1500.500000 1
183.100001 9003.000000 1
184.250000 3001.000000 1
184.600006 1500.500000 1
185.242859 31510.500000 1
185.800003 1500.500000 1
187.207999 75025.000000 1
188.199997 1500.500000 1
189.063998 75025.000000 1
189.414995 30010.000000 1
189.899994 4501.500000 1
190.500000 3001.000000 1
190.912495 12004.000000 1
191.237499 24008.000000 1
191.600006 6002.000000 1
193.000000 6002.000000 1
193.399994 1500.500000 1
194.800003 1500.500000 1
195.399994 7502.500000 1
197.287497 24008.000000 1
199.184615 19506.500000 1
199.500000 10503.500000 1
200.300003 3001.000000 1
201.163724 153051.000000 1
202.600006 4501.500000 1
202.975002 12004.000000 1
203.314287 21007.000000 1
205.200002 18006.000000 1
206.000000 1500.500000 1
207.300003 9003.000000 1
208.000000 1500.500000 1
208.650002 3001.000000 1
209.149998 12004.000000 1
209.600006 1500.500000 1
210.300003 1500.500000 1
210.600006 1500.500000 1
210.800003 7502.500000 1
211.120004 15005.000000 1
211.800003 1500.500000 1
212.000000 1500.500000 1
213.250878 85528.500000 1
213.699997 3001.000000 1
215.160366 246082.000000 2
216.199997 1500.500000 1
217.000000 13504.500000 1
217.383329 9003.000000 1
217.650002 3001.000000 1
218.150002 3001.000000 1
219.160524 57019.000000 1
220.699997 1500.500000 1
221.000000 1500.500000 1
221.500000 1500.500000 1
222.100006 1500.500000 1
222.349998 3001.000000 1
223.167742 93031.000000 1
223.800003 1500.500000 1
224.100006 3001.000000 1
224.699997 3001.000000 1
225.184617 19506.500000 1
227.233335 99033.000000 1
227.800003 1500.500000 1
228.100006 1500.500000 1
228.300003 1500.500000 1
229.220001 67522.500000 1
230.399994 1500.500000 1
231.210001 30010.000000 1
231.899994 1500.500000 1
232.600006 1500.500000 1
233.156521 69023.000000 1
234.800003 3001.000000 1
235.300003 1500.500000 1
237.300003 21007.000000 1
237.899994 1500.500000 1
238.399994 1500.500000 1
238.699997 12004.000000 1
239.274468 141047.000000 1
240.399994 1500.500000 1
241.244444 189063.000000 2
242.899994 1500.500000 1
243.299995 6002.000000 1
243.600006 4501.500000 1
244.199997 1500.500000 1
244.399994 1500.500000 1
245.157145 105035.000000 1
246.100006 1500.500000 1
250.300003 3001.000000 1
250.500000 1500.500000 1
250.974998 12004.000000 1
251.475002 24008.000000 1
253.263638 132044.000000 1
254.399994 1500.500000 1
255.258065 372124.000000 3
256.200012 4501.500000 1
256.500000 4501.500000 1
257.273328 45015.000000 1
258.799988 4501.500000 1
259.200012 6002.000000 1
259.600006 3001.000000 1
264.299988 1500.500000 1
265.299988 1500.500000 1
267.100006 1500.500000 1
267.500000 1500.500000 1
267.799988 1500.500000 1
268.000000 1500.500000 1
269.200012 22507.500000 1
270.200012 1500.500000 1
270.500000 1500.500000 1
270.700012 1500.500000 1
271.193101 43514.500000 1
272.000000 1500.500000 1
272.299988 3001.000000 1
272.500000 4501.500000 1
273.330280 213071.000000 2
274.299988 1500.500000 1
277.000000 1500.500000 1
277.200012 3001.000000 1
277.799988 1500.500000 1
278.299988 1500.500000 1
278.600006 4501.500000 1
279.267565 444148.000000 4
282.000000 3001.000000 1
282.299988 3001.000000 1
282.799988 3001.000000 1
283.071433 10503.500000 1
283.449997 3001.000000 1
283.899994 1500.500000 1
284.100006 1500.500000 1
285.200012 1500.500000 1
286.799988 4501.500000 1
287.299988 4501.500000 1
287.600006 3001.000000 1
293.000000 1500.500000 1
295.200012 6002.000000 1
295.500000 3001.000000 1
295.700012 1500.500000 1
297.275163 1848616.000000 17
298.100006 3001.000000 1
298.299988 1500.500000 1
299.799988 1500.500000 1
300.650009 3001.000000 1
305.700012 1500.500000 1
306.399994 1500.500000 1
309.500000 1500.500000 1
310.299988 1500.500000 1
310.550003 3001.000000 1
311.000000 1500.500000 1
311.299988 3001.000000 1
311.700012 1500.500000 1
312.000000 3001.000000 1
312.200012 4501.500000 1
313.216675 27009.000000 1
315.284301 110283749.000000 999
316.650009 24008.000000 1
317.200012 1500.500000 1
317.399994 3001.000000 1
319.000000 9003.000000 1
//
