MassBank Record: FFF00378



 33FTA; LC-ESI-QQ; MS2; CE60; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00378
RECORD_TITLE: 33FTA; 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$NAME: 33FTA CH$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 CH$LINK: COMPTOX DTXSID00379268
AC$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$FOCUSED_ION: BASE_PEAK 117.121872 MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-2900000000-aa7c2bcb189b6ee9d2bf PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 63.001179 1664.009155 15 66.976295 34382.957031 318 69.077316 1344.477661 12 80.971985 4558.026855 42 104.909950 4798.872559 44 116.244987 3629.864746 34 116.965584 108103.078125 999 131.064163 4818.783203 45 132.902267 2988.446045 28 136.945084 1963.337891 18 //

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