MassBank Record: FFF00374



 33FTA; LC-ESI-QQ; MS2; CE20; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00374
RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE20; [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$NAME: 33FTA CH$NAME: 33Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,6-Heptafluorohexanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C6H5F7O2 CH$EXACT_MASS: 242.01778 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15) CH$LINK: CAS 356-02-5 CH$LINK: INCHIKEY ISFKSWMQWIRDNC-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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 AC$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 116.806686 MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-4900000000-82212c97eae51283e607 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 66.792038 34708.636719 518 67.036377 43581.757813 650 68.805710 3931.983887 59 69.053276 2272.090820 34 80.649849 2443.741943 36 80.911278 8523.112305 127 81.120399 11131.719727 166 104.895355 5302.084961 79 105.281921 2686.689697 40 116.529030 4264.666504 64 116.732422 54032.679688 806 116.964783 66978.234375 999 117.198212 56051.078125 836 124.698021 3312.294189 49 130.816696 2154.366211 32 131.106201 2799.439941 42 132.879471 2500.227295 37 137.164017 3605.314697 54 //