MassBank Record: FFF00379



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

ACCESSION: FFF00379
RECORD_TITLE: 53FTA; LC-ESI-QQ; MS
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$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE 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 0.016833
MS$FOCUSED_ION: BASE_PEAK 341.132111 MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0006-3039000000-30f5d53da04954aa8eb8 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 58.964134 1834638.250000 124 62.931816 998970.625000 67 74.350632 471084.593750 32 74.918922 1395542.250000 94 88.972420 825122.250000 56 135.041641 1260898.625000 85 217.036972 838287.687500 57 237.020798 2939022.500000 198 256.419952 497331.437500 34 257.043793 1821924.000000 123 341.038422 14816372.000000 999 //