MassBank Record: FFF00372



 33FTA; LC-ESI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00372
RECORD_TITLE: 33FTA; 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$NAME: 33FTA CH$NAME: 33Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,6-Heptafluorohexanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C6H5F7O2 CH$EXACT_MASS: 242.01778 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15) CH$LINK: CAS 356-02-5 CH$LINK: INCHIKEY ISFKSWMQWIRDNC-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 0.016833
MS$FOCUSED_ION: BASE_PEAK 241.078537 MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0006-3190000000-2f8c140e7d634e32375b PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 58.966076 1303042.625000 86 62.251858 504447.406250 33 62.929279 2101822.250000 139 63.524323 353040.750000 23 74.920525 1258313.000000 83 88.970627 581243.812500 38 135.042191 1001270.687500 66 177.028152 1474136.875000 97 221.002090 481112.062500 32 239.037460 446648.968750 29 241.052475 15132137.000000 999 241.713028 1825866.375000 121 //