MassBank Record: FFF00387

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73FTA; LC-ESI-QQ; MS2; CE10; [M-H]-

Mass Spectrum
Chemical Structure
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ACCESSION: FFF00387
RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE10; [M-H]-
DATE: 2016.01.19 (Created 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10
AC$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$FOCUSED_ION: BASE_PEAK 337.037018
MS$FOCUSED_ION: PRECURSOR_M/Z 441
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0009100000-3ebfcd5aee9bb33bc5df
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  62.943607 134420.828125 69
  317.027008 622128.437500 320
  337.007660 1943898.875000 999
  357.094727 165972.093750 85
  441.014160 497848.656250 256
//