MassBank Record: FFF00387



 73FTA; LC-ESI-QQ; MS2; CE10; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00387
RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE10; [M-H]-
DATE: 2016.01.19 (2013.01.25)
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$NAME: 73FTA CH$NAME: 73Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H5F15O2 CH$EXACT_MASS: 442.00500 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27) CH$LINK: CAS 812-70-4 CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N
AC$INSTRUMENT: Xevo TQ MS (Waters) AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: DATE 2012.8.13 AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 800L/hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 AC$MASS_SPECTROMETRY: MASS_ACCURACY Unit AC$CHROMATOGRAPHY: RETENTION_TIME 0.016817
MS$FOCUSED_ION: BASE_PEAK 337.037018 MS$FOCUSED_ION: PRECURSOR_M/Z 441 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0009100000-3ebfcd5aee9bb33bc5df PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 62.943607 134420.828125 69 317.027008 622128.437500 320 337.007660 1943898.875000 999 357.094727 165972.093750 85 441.014160 497848.656250 256 //