MassBank Record: FFF00390



 73FTA; LC-ESI-QQ; MS2; CE40; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00390
RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE40; [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$NAME: 73FTA CH$NAME: 73Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H5F15O2 CH$EXACT_MASS: 442.00500 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27) CH$LINK: CAS 812-70-4 CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620
AC$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 40 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$FOCUSED_ION: BASE_PEAK 267.101807 MS$FOCUSED_ION: PRECURSOR_M/Z 441 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0195000000-996ed7c68278726a5d14 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 198.110992 61290.380730 138 267.001373 442222.573011 999 317.032166 252544.859406 571 //

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