MassBank Record: FFF00393



 62FTA; LC-ESI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00393
RECORD_TITLE: 62FTA; 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$NAME: 62FTA CH$NAME: 62Fluorotelomer Acid CH$NAME: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C8H3F13O2 CH$EXACT_MASS: 377.99255 CH$SMILES: OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C8H3F13O2/c9-3(10,1-2(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H2,(H,22,23) CH$LINK: CAS 53826-12-3 CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556
AC$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$CHROMATOGRAPHY: RETENTION_TIME 0.016817
MS$FOCUSED_ION: BASE_PEAK 292.895752 MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-000l-5130900000-0887793613ad430be060 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 58.322071 197710.000000 92 58.972687 784029.437500 365 59.564167 132997.921875 62 61.929348 116421.109375 54 62.886238 284078.031250 132 88.278664 146534.156250 68 88.945313 613523.562500 285 92.857071 224027.968750 104 94.837990 147900.375000 69 102.916893 155847.312500 73 113.020416 146567.375000 68 116.933922 160356.734375 75 126.991470 140774.187500 65 146.970779 117482.046875 55 156.958618 111288.718750 52 292.937378 1814433.375000 844 293.595276 175692.437500 82 313.020050 206743.484375 96 377.025574 227048.015625 106 431.038025 220369.218750 103 435.015564 2147098.250000 999 436.994354 734810.062500 342 445.001129 1424409.000000 663 446.023834 145004.750000 67 //

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