MassBank Record: FFF00205



 Progesterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00205
RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:10 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$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$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 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