MassBank Record: FFF00414



 102FTA; LC-ESI-QQ; MS2; CE10; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00414
RECORD_TITLE: 102FTA; LC-ESI-QQ; MS2; CE10; [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$NAME: 102FTA CH$NAME: 102Fluorotelomer Acid CH$NAME: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C12H3F21O2 CH$EXACT_MASS: 577.97977 CH$SMILES: OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C12H3F21O2/c13-3(14,1-2(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H2,(H,34,35) CH$LINK: CAS 53826-13-4 CH$LINK: INCHIKEY IKHNVATUHWDNGI-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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$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 492.789337 MS$FOCUSED_ION: PRECURSOR_M/Z 577 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01ox-3000890000-d5350d10d5406e88cf4d PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 62.842400 15220.873047 596 169.013229 2016.991455 79 342.851013 1419.648071 56 392.933075 1429.009033 56 464.803833 1326.496582 52 465.085022 2101.797607 82 492.363922 9182.592773 359 492.886871 25519.742188 999 512.887024 19202.115234 752 530.660156 1440.468262 56 532.873596 5177.862305 203 577.152466 13550.204102 530 577.626953 1803.160889 71 //