MassBank Record: FFF00373



 33FTA; LC-ESI-QQ; MS2; CE10; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00373
RECORD_TITLE: 33FTA; 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$NAME: 33FTA CH$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 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$FOCUSED_ION: BASE_PEAK 177.064529 MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01t9-4910000000-5b5b6321aa8dec58ed76 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 62.999496 850418.375000 769 116.962746 45352.656250 41 136.956573 264555.406250 239 156.985565 115612.351563 105 177.037506 1104692.625000 999 177.686432 111981.546875 101 180.996231 18583.914063 17 221.086761 46191.925781 42 241.070251 284913.031250 258 //

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