MassBank Record: FFF00201



 Progesterone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00201
RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:50 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 97.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 315.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4j-9800000000-36f2ed6324474eae42f2 PK$NUM_PEAK: 345 PK$PEAK: m/z int. rel.int. 38.500000 4501.500000 1 38.900002 3001.000000 1 39.299999 4501.500000 1 39.700001 1500.500000 1 39.900002 1500.500000 1 40.400002 9003.000000 1 41.058729 94531.500000 3 43.066220 2349783.000000 63 43.900002 6002.000000 1 44.200001 6002.000000 1 45.171428 21007.000000 1 45.599998 1500.500000 1 45.799999 1500.500000 1 50.099998 1500.500000 1 50.900002 4501.500000 1 51.299999 4501.500000 1 51.500000 1500.500000 1 51.700001 1500.500000 1 52.299999 6002.000000 1 52.500000 3001.000000 1 53.116667 72024.000000 2 53.900002 6002.000000 1 55.069613 543181.000000 15 56.000000 1500.500000 1 56.225000 6002.000000 1 56.500000 9003.000000 1 57.085185 81027.000000 2 59.022222 13504.500000 1 59.700001 1500.500000 1 60.000000 1500.500000 1 63.700001 1500.500000 1 64.300001 4501.500000 1 64.920688 43514.500000 1 65.400002 22507.500000 1 65.900002 13504.500000 1 67.087537 1517005.500000 41 69.086000 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