MassBank Record: FFF00406



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

ACCESSION: FFF00406
RECORD_TITLE: 82FTA; 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$NAME: 82FTA CH$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$MASS_SPECTROMETRY: MS_TYPE MS AC$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$FOCUSED_ION: BASE_PEAK 392.897736 MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0006-9405180000-8320ebefdc6df0be229b PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 58.858181 894902.937500 605 59.473560 129345.312500 87 61.860798 170562.953125 115 62.897663 146183.406250 99 88.318848 117366.039063 79 88.913055 497503.437500 337 92.816933 291622.406250 197 94.828209 181411.890625 123 102.896584 163406.984375 111 112.969551 107649.804688 73 116.873993 236121.671875 160 118.834679 103638.890625 70 127.009521 175458.375000 119 140.941727 184459.765625 125 146.920273 108933.023438 74 392.937714 1476801.875000 999 393.979492 130150.062500 88 412.958527 176718.671875 120 476.909943 166918.609375 113 534.887390 1328205.000000 898 536.962646 406750.218750 275 544.951477 635222.625000 430 //