MassBank Record: FFF00386



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

ACCESSION: FFF00386
RECORD_TITLE: 73FTA; LC-ESI-QQ; MS
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
AC$INSTRUMENT: Xevo TQ MS (Waters) AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE 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 0.016867
MS$FOCUSED_ION: BASE_PEAK 441.169586 MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0006-2002900000-4493c7ea1ee712b715bb PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 58.965401 2148765.250000 163 62.928867 445937.656250 34 74.364227 410934.281250 31 74.920387 1201249.750000 91 135.042053 562139.062500 43 317.027863 409065.156250 31 337.007965 2694240.250000 204 356.986267 1028535.187500 78 441.073853 13201541.000000 999 //