MassBank Record: FFF00408



 82FTA; LC-ESI-QQ; MS2; CE20; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00408
RECORD_TITLE: 82FTA; 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$NAME: 82FTA CH$NAME: 82Fluorotelomer Acid CH$NAME: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H3F17O2 CH$EXACT_MASS: 477.98616 CH$SMILES: OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29) CH$LINK: CAS 27854-31-5 CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N
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$CHROMATOGRAPHY: RETENTION_TIME 0.016833
MS$FOCUSED_ION: BASE_PEAK 392.853455 MS$FOCUSED_ION: PRECURSOR_M/Z 477 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-2229000000-3f5d31f8e27a40c1bfa5 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 62.991707 10882.147461 378 130.905441 1087.316162 38 147.012146 2054.153809 71 168.833069 2318.588867 81 180.718201 895.530823 31 192.917572 5912.883301 205 243.009613 9993.933594 347 283.244537 884.747620 31 296.960144 1439.801880 50 313.039642 1800.464966 63 317.007324 2230.557861 77 321.103119 996.076294 35 323.870758 3189.395264 111 343.091614 2213.544678 77 393.014801 28753.230469 999 394.784241 1008.189941 35 //