MassBank Record: FFF00407



 82FTA; LC-ESI-QQ; MS2; CE10; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00407
RECORD_TITLE: 82FTA; 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$NAME: 82FTA CH$NAME: 82Fluorotelomer Acid CH$NAME: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H3F17O2 CH$EXACT_MASS: 477.98616 CH$SMILES: OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29) CH$LINK: CAS 27854-31-5 CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109
AC$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$FOCUSED_ION: BASE_PEAK 393.357391 MS$FOCUSED_ION: PRECURSOR_M/Z 477 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01ox-5009700000-26bb2294d6fe0debef0d PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 61.545025 1369.422119 46 61.826477 2172.413574 74 62.823208 19246.376953 652 67.449860 2192.381836 74 293.060120 1216.863770 41 312.934448 1881.250610 64 327.125122 1286.626221 44 392.380890 8620.023438 292 392.997864 29474.046875 999 394.994995 1333.950439 45 408.869171 1358.784546 46 413.072357 10986.187500 372 419.059113 923.014099 31 433.099609 4136.952148 140 477.017731 16342.698242 554 //

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