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ACCESSION: FFF00346 RECORD_TITLE: nPFOA; LC-ESI-QQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto 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$NAME: nPFOA CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA:C8HF15O2 CH$EXACT_MASS: 413.97370 CH$SMILES: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25) CH$LINK: CAS 95328-99-7(as ammonium salt) CH$LINK: INCHIKEY SNGREZUHAYWORS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8031865 AC$INSTRUMENT: Xevo TQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV AC$CHROMATOGRAPHY: RETENTION_TIME 21.013350 min MS$FOCUSED_ION: BASE_PEAK 119.127602 MS$FOCUSED_ION: PRECURSOR_M/Z 413 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- PK$SPLASH:splash10-014i-0900000000-f1f0cd2f1402c9c1dce4 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int.
  119.104329 5451.448009 999
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