MassBank Record: FFF00409



 82FTA; LC-ESI-QQ; MS2; CE30; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00409
RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE30; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 AC$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 393.231415 MS$FOCUSED_ION: PRECURSOR_M/Z 477 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-3349000000-2b3c855a785d78a55cf8 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 62.296001 818.900696 32 62.975071 10204.535156 403 68.796944 1438.850708 57 89.146866 2315.583008 91 92.834908 1035.466187 41 102.813828 1122.468140 44 118.794693 3476.414795 137 153.088181 986.278748 39 169.054489 3177.376709 125 170.721848 956.400024 38 181.023499 2537.940186 100 192.814011 4539.739746 179 200.927521 820.854980 32 216.860046 787.339172 31 223.166504 1030.450073 41 239.189575 963.045654 38 243.073288 12431.781250 491 254.959961 2679.392822 106 324.251892 7112.287598 281 324.672211 1208.440552 48 343.135132 4561.770020 180 393.179291 25299.998047 999 429.072144 943.853516 37 //