MassBank Record: FFF00384



 53FTA; LC-ESI-QQ; MS2; CE50; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00384
RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE50; [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$NAME: 53FTA CH$NAME: 53Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,7,7,8,8,8-Undecafluorooctanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C8H5F11O2 CH$EXACT_MASS: 342.01139 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21) CH$LINK: CAS 914637-49-3 CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028
AC$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 50 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 0.016883
MS$FOCUSED_ION: BASE_PEAK 167.042542 MS$FOCUSED_ION: PRECURSOR_M/Z 341 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-4910000000-8cf81e249262477fd527 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 62.814938 7602.266113 52 68.971405 6132.696289 42 92.825836 26413.515625 180 97.982887 105767.359375 720 116.963066 56222.339844 383 117.664803 4656.394531 32 118.903763 5123.683594 35 143.001450 83271.867188 567 143.648468 8420.279297 57 147.909012 14447.956055 98 167.061569 146693.984375 999 181.175552 5042.250000 34 216.980606 54527.343750 371 //

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