MassBank Record: FFF00385



 53FTA; LC-ESI-QQ; MS2; CE60; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00385
RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE60; [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$NAME: 53FTA CH$NAME: 53Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,7,7,8,8,8-Undecafluorooctanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C8H5F11O2 CH$EXACT_MASS: 342.01139 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21) CH$LINK: CAS 914637-49-3 CH$LINK: INCHIKEY ABFCFCPCGMHSRX-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$MASS_SPECTROMETRY: COLLISION_ENERGY 60 AC$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 97.894821 MS$FOCUSED_ION: PRECURSOR_M/Z 341 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00ke-9700000000-d443b4542f14dc7b2100 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 62.975243 6024.524902 64 66.986610 6350.069824 67 68.788284 8395.956055 89 92.301216 13188.008789 140 92.831451 38913.351563 412 93.491234 4414.687500 47 97.980782 94323.140625 999 98.541992 14420.014648 153 113.974411 2875.570313 30 116.960320 48603.656250 515 128.842377 4035.438477 43 142.998566 40400.535156 428 143.632431 4580.863281 49 147.922470 7126.599609 75 167.061066 42284.890625 448 217.051682 11298.481445 120 //