MassBank Record: FFF00400



 62FTA; LC-ESI-QQ; MS2; CE10; [M-H-CO2-2HF]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00400
RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE10; [M-H-CO2-2HF]-
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 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$FOCUSED_ION: BASE_PEAK 293.028198 MS$FOCUSED_ION: ION_TYPE [M-H]- MS$FOCUSED_ION: PRECURSOR_M/Z 293 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H-CO2-2HF]-
PK$SPLASH: splash10-0006-0090000000-debadf6ebc539aa6c0a6 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 130.955185 7163.685059 10 142.931580 6984.485352 10 243.009872 12006.205078 17 293.065674 696205.500000 999 293.713898 16507.371094 24 //

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