MassBank Record: FFF00206



 Progesterone; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00206
RECORD_TITLE: Progesterone; LC-APPI-QQ; MS
DATE: 2016.01.19 (2011.04.05, 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$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821133 min
MS$FOCUSED_ION: BASE_PEAK 315.299988 MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-02t9-0049000000-2fa8b7d7abd474f3e86c PK$NUM_PEAK: 105 PK$PEAK: m/z int. rel.int. 201.142838 9456726.000000 14 202.104489 2897448.000000 4 203.123282 6798397.500000 10 205.099713 6263130.000000 9 207.136461 4862430.000000 7 209.146087 11531763.000000 17 211.134794 13669831.500000 21 213.121779 11998996.500000 18 214.173341 3977988.000000 6 215.145553 10821408.000000 16 216.177639 2313156.000000 4 217.139398 4322160.000000 7 219.127339 5379688.500000 8 221.110025 8403199.500000 13 222.116928 2175087.000000 3 223.145624 9876936.000000 15 225.168707 9578787.000000 15 227.173952 11154574.500000 17 228.160341 3521760.000000 5 229.148486 7665831.000000 12 231.140256 9687841.500000 15 233.127214 8485240.500000 13 235.118776 9697846.500000 15 237.145147 34347165.000000 52 239.158109 11898946.500000 18 240.183873 2717358.000000 4 241.211404 7439718.000000 11 243.187045 7089543.000000 11 244.207902 2203101.000000 3 245.159530 8104050.000000 12 247.133739 10687341.000000 16 249.111065 12098046.000000 18 251.130708 7825911.000000 12 253.173184 8305150.500000 13 255.160948 10934464.500000 17 257.147960 15695844.000000 24 259.156067 12739366.500000 19 261.153168 21132561.000000 32 263.139607 16894443.000000 26 265.145003 12934464.000000 20 267.169842 14358175.500000 22 269.187640 24687337.500000 37 271.165507 30589287.000000 46 273.173442 13418706.000000 20 275.169230 10528261.500000 16 277.168581 11565780.000000 18 279.145102 29884935.000000 45 281.198646 7536766.500000 11 283.186241 10238116.500000 15 285.189751 13548771.000000 21 287.166067 12466230.000000 19 289.226591 10625310.000000 16 291.226188 11415705.000000 17 293.235765 18597294.000000 28 295.254587 28222104.000000 43 297.277910 34665324.000000 52 299.242433 14967480.000000 23 301.207399 9356676.000000 14 303.233403 11453724.000000 17 305.277135 12890442.000000 20 307.277491 16828410.000000 25 309.275879 44058018.000000 67 311.300442 129159547.500000 196 313.306761 275379621.000000 417 315.305231 659922796.500000 999 319.264011 5676837.000000 9 321.269421 5607802.500000 8 323.258397 7887942.000000 12 325.280119 12128061.000000 18 327.286101 20313151.500000 31 329.292447 112771357.500000 171 333.183982 3697848.000000 6 335.254775 3813906.000000 6 337.266960 6159078.000000 9 339.245342 4704351.000000 7 341.261599 4554276.000000 7 343.284728 7507752.000000 11 345.247109 3979989.000000 6 347.207230 2795397.000000 4 349.221226 2969484.000000 4 351.241959 3085542.000000 5 353.248122 3247623.000000 5 355.257959 2589294.000000 4 357.264877 2273136.000000 3 359.222233 2025012.000000 3 361.270057 3835917.000000 6 363.217274 2525262.000000 4 365.268940 2435217.000000 4 367.290074 2459229.000000 4 369.352265 2385192.000000 4 371.311885 2071035.000000 3 373.307834 1685842.500000 3 375.327356 3101550.000000 5 377.266796 2049024.000000 3 379.270732 1681840.500000 3 381.315340 1708854.000000 3 383.329904 1973986.500000 3 385.339101 1202601.000000 2 387.321799 1312656.000000 2 389.341289 1366683.000000 2 391.361232 3117558.000000 5 393.281757 1184592.000000 2 395.291632 1219609.500000 2 397.311735 1568784.000000 2 399.318796 3108553.500000 5 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)