MassBank Record: FFF00395



 62FTA; LC-ESI-QQ; MS2; CE20; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00395
RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE20; [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$NAME: 62FTA CH$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 20 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$FOCUSED_ION: BASE_PEAK 292.804474 MS$FOCUSED_ION: PRECURSOR_M/Z 377 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-2090000000-34a1d4ec884400f3d9f1 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 62.997082 10146.801758 230 92.791061 2622.379883 59 131.088043 2611.688477 59 143.101929 1916.725098 43 227.114487 1596.051147 36 243.013184 5291.525391 120 289.029938 1916.447388 43 292.902740 44141.945313 999 //

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