MassBank Record: FFF00203



 Progesterone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00203
RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:30 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 109.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 315.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-6921000000-d0b6167b7a0936836dfc PK$NUM_PEAK: 289 PK$PEAK: m/z int. rel.int. 39.000000 3001.000000 1 40.700001 3001.000000 1 41.000000 7502.500000 1 41.799999 3001.000000 1 43.069565 414138.000000 9 43.799999 4501.500000 1 44.500000 1500.500000 1 44.700001 1500.500000 1 45.099998 3001.000000 1 45.400002 3001.000000 1 52.299999 1500.500000 1 52.925001 6002.000000 1 53.500000 1500.500000 1 54.000000 1500.500000 1 54.299999 3001.000000 1 54.599998 4501.500000 1 55.009091 33011.000000 1 56.500000 1500.500000 1 56.700001 1500.500000 1 56.900002 3001.000000 1 57.099998 4501.500000 1 57.450001 6002.000000 1 59.200001 4501.500000 1 59.500000 1500.500000 1 62.400002 1500.500000 1 64.199997 1500.500000 1 65.099998 4501.500000 1 65.400002 4501.500000 1 66.199997 7502.500000 1 66.400002 6002.000000 1 67.055555 108036.000000 2 68.199997 6002.000000 1 69.127778 135045.000000 3 69.928573 10503.500000 1 70.199997 1500.500000 1 71.169443 108036.000000 2 71.800003 1500.500000 1 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