MassBank Record: FFF00200



 Progesterone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00200
RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+
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$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 97.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 315.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-9300000000-48dcdcc523abf0dd77e0 PK$NUM_PEAK: 318 PK$PEAK: m/z int. rel.int. 31.300000 4501.500000 1 37.400002 1500.500000 1 38.599998 1500.500000 1 38.799999 3001.000000 1 39.049999 12004.000000 1 39.316666 9003.000000 1 39.650000 3001.000000 1 40.000000 4501.500000 1 41.049515 309103.000000 17 43.067299 2688896.000000 149 44.599998 1500.500000 1 44.799999 7502.500000 1 45.200001 9003.000000 1 45.400002 6002.000000 1 46.599998 1500.500000 1 49.900002 3001.000000 1 50.250000 3001.000000 1 50.599998 1500.500000 1 51.260001 7502.500000 1 51.700001 1500.500000 1 51.900002 6002.000000 1 53.067999 75025.000000 4 55.094942 1038346.000000 57 56.599998 9003.000000 1 57.263636 66022.000000 4 57.599998 3001.000000 1 57.799999 1500.500000 1 58.099998 1500.500000 1 58.599998 1500.500000 1 59.200001 6002.000000 1 59.400002 3001.000000 1 60.900002 1500.500000 1 62.900002 1500.500000 1 63.200001 1500.500000 1 63.700001 1500.500000 1 64.000000 3001.000000 1 64.199997 4501.500000 1 65.110345 174058.000000 10 67.132625 1766088.500000 98 69.102162 1665555.000000 92 71.088976 381127.000000 21 72.000000 1500.500000 1 72.250000 3001.000000 1 73.099998 4501.500000 1 73.400002 1500.500000 1 73.599998 1500.500000 1 74.699997 3001.000000 1 75.199997 3001.000000 1 77.084335 948316.000000 52 79.055759 8051683.000000 445 81.111483 6585694.500000 364 83.108505 1234911.500000 68 85.094873 117039.000000 6 86.049999 3001.000000 1 86.300003 1500.500000 1 86.800003 1500.500000 1 87.149998 3001.000000 1 88.000000 1500.500000 1 88.500000 1500.500000 1 89.699997 12004.000000 1 91.060606 2376792.000000 131 93.128807 1458486.000000 81 93.936560 139546.500000 8 95.085159 2123207.500000 117 97.117201 18057017.000000 999 99.200001 6002.000000 1 100.800003 1500.500000 1 101.099998 1500.500000 1 101.300003 1500.500000 1 101.549999 3001.000000 1 102.074999 6002.000000 1 102.400002 7502.500000 1 103.114999 60020.000000 3 105.080188 1757085.500000 97 107.066721 919806.500000 51 109.086652 12388128.000000 685 110.300003 10503.500000 1 110.956522 34511.500000 2 113.099998 1500.500000 1 113.300003 1500.500000 1 113.750000 6002.000000 1 114.149998 3001.000000 1 115.203843 39013.000000 2 117.102941 306102.000000 17 119.100000 643714.500000 36 121.163941 403634.500000 22 121.759999 22507.500000 1 123.093684 1140380.000000 63 123.800003 3001.000000 1 124.300003 1500.500000 1 124.950001 3001.000000 1 125.400002 1500.500000 1 126.300003 1500.500000 1 128.214505 196565.500000 11 129.084393 259586.500000 14 130.232307 97532.500000 5 131.170849 406635.500000 22 132.025002 12004.000000 1 133.113335 180060.000000 10 133.800003 3001.000000 1 135.000001 36012.000000 2 135.300003 24008.000000 1 136.250000 3001.000000 1 136.899994 13504.500000 1 137.280002 15005.000000 1 138.600006 1500.500000 1 139.050003 3001.000000 1 139.500000 3001.000000 1 139.800003 4501.500000 1 141.133333 72024.000000 4 142.047695 97532.500000 5 143.098485 198066.000000 11 144.158329 90030.000000 5 145.155758 247582.500000 14 145.899994 7502.500000 1 146.199997 6002.000000 1 147.147728 66022.000000 4 148.199999 39013.000000 2 149.168571 52517.500000 3 151.199997 6002.000000 1 151.600006 1500.500000 1 152.000000 4501.500000 1 153.162498 24008.000000 1 154.100006 16505.500000 1 154.474998 6002.000000 1 155.083825 102034.000000 6 156.065001 60020.000000 3 157.135484 93031.000000 5 158.157142 21007.000000 1 159.129631 81027.000000 4 159.800003 1500.500000 1 160.174999 6002.000000 1 161.144450 27009.000000 1 161.800003 4501.500000 1 162.000000 3001.000000 1 162.300003 4501.500000 1 163.016668 18006.000000 1 165.000000 13504.500000 1 165.299999 28509.500000 2 166.100006 6002.000000 1 166.300003 3001.000000 1 166.600006 1500.500000 1 167.103124 48016.000000 3 168.311764 25508.500000 1 169.209999 30010.000000 2 170.228572 21007.000000 1 171.140000 75025.000000 4 171.800003 1500.500000 1 172.349998 12004.000000 1 172.699997 9003.000000 1 173.286666 45015.000000 2 174.259998 15005.000000 1 175.300003 7502.500000 1 175.800003 3001.000000 1 176.300003 1500.500000 1 177.099998 12004.000000 1 178.000000 9003.000000 1 178.550003 3001.000000 1 179.108339 18006.000000 1 180.177778 13504.500000 1 180.525002 6002.000000 1 181.234782 34511.500000 2 181.800003 1500.500000 1 182.100006 13504.500000 1 182.466665 9003.000000 1 182.899994 10503.500000 1 183.166670 27009.000000 1 184.199997 9003.000000 1 185.041669 18006.000000 1 186.000000 3001.000000 1 186.399994 1500.500000 1 187.000000 7502.500000 1 187.399994 9003.000000 1 187.600006 3001.000000 1 187.899994 3001.000000 1 188.150002 3001.000000 1 188.399994 3001.000000 1 189.199997 3001.000000 1 191.199997 4501.500000 1 191.500000 1500.500000 1 192.300003 3001.000000 1 192.550003 3001.000000 1 193.199997 13504.500000 1 193.699997 1500.500000 1 193.899994 4501.500000 1 194.700002 18006.000000 1 195.200002 27009.000000 1 195.899994 4501.500000 1 196.300003 6002.000000 1 197.100006 10503.500000 1 198.000000 3001.000000 1 198.199997 1500.500000 1 198.399994 4501.500000 1 198.600006 4501.500000 1 199.300003 15005.000000 1 200.266668 9003.000000 1 200.800003 1500.500000 1 201.399994 4501.500000 1 202.000000 7502.500000 1 202.199997 7502.500000 1 202.416662 9003.000000 1 203.399994 3001.000000 1 204.699997 1500.500000 1 205.000000 3001.000000 1 205.300003 1500.500000 1 205.800003 1500.500000 1 206.100001 4501.500000 1 206.849998 3001.000000 1 207.199997 3001.000000 1 207.500000 9003.000000 1 207.899994 4501.500000 1 208.100006 4501.500000 1 208.399999 4501.500000 1 208.849998 3001.000000 1 209.100006 9003.000000 1 209.750000 3001.000000 1 210.100006 4501.500000 1 210.399994 1500.500000 1 210.899994 3001.000000 1 211.199997 3001.000000 1 211.699997 1500.500000 1 211.899994 3001.000000 1 212.399994 1500.500000 1 212.899994 3001.000000 1 213.100006 4501.500000 1 213.399994 4501.500000 1 214.100006 1500.500000 1 215.000000 13504.500000 1 215.342856 21007.000000 1 215.800003 1500.500000 1 216.100006 1500.500000 1 216.399994 3001.000000 1 216.800003 1500.500000 1 217.349998 3001.000000 1 218.699997 1500.500000 1 219.000000 1500.500000 1 219.300003 1500.500000 1 220.399994 1500.500000 1 220.750000 3001.000000 1 221.100001 4501.500000 1 221.449997 3001.000000 1 223.166667 9003.000000 1 224.000000 3001.000000 1 224.199997 1500.500000 1 225.000000 3001.000000 1 225.600006 3001.000000 1 225.849998 3001.000000 1 226.100006 3001.000000 1 226.371427 10503.500000 1 227.275002 6002.000000 1 227.500000 1500.500000 1 228.200001 12004.000000 1 229.050001 9003.000000 1 229.600006 1500.500000 1 230.199997 1500.500000 1 230.600006 1500.500000 1 230.899994 6002.000000 1 231.199997 3001.000000 1 231.399994 1500.500000 1 235.150002 3001.000000 1 235.399994 3001.000000 1 236.050003 3001.000000 1 236.399994 1500.500000 1 237.200002 4501.500000 1 237.500000 1500.500000 1 237.899994 1500.500000 1 238.199997 1500.500000 1 238.600006 3001.000000 1 238.800003 1500.500000 1 239.050003 6002.000000 1 239.449997 6002.000000 1 239.899994 1500.500000 1 241.199997 3001.000000 1 241.949997 3001.000000 1 242.199997 3001.000000 1 242.399994 1500.500000 1 242.600006 1500.500000 1 243.000000 1500.500000 1 243.199997 1500.500000 1 243.399994 4501.500000 1 244.150002 3001.000000 1 249.000000 1500.500000 1 249.199997 1500.500000 1 251.000000 1500.500000 1 252.399994 1500.500000 1 253.000000 3001.000000 1 253.600001 4501.500000 1 254.399994 1500.500000 1 254.983332 9003.000000 1 255.449997 3001.000000 1 255.800003 1500.500000 1 256.200012 1500.500000 1 257.299988 3001.000000 1 258.000000 1500.500000 1 258.299988 3001.000000 1 259.399994 4501.500000 1 260.600006 9003.000000 1 262.500000 3001.000000 1 263.500000 1500.500000 1 266.799988 1500.500000 1 267.399994 1500.500000 1 269.299988 1500.500000 1 270.200012 1500.500000 1 270.899994 1500.500000 1 271.100006 4501.500000 1 271.500000 1500.500000 1 272.700012 1500.500000 1 281.100006 1500.500000 1 281.299988 1500.500000 1 282.899994 3001.000000 1 283.200012 1500.500000 1 283.399994 1500.500000 1 283.600006 1500.500000 1 284.550003 3001.000000 1 287.000000 3001.000000 1 297.399994 3001.000000 1 299.000000 1500.500000 1 300.700012 1500.500000 1 //

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)