MassBank Record: MSBNK-EPA-ENTACT_AGILENT002407

Tridecanedioic acid; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002407
RECORD_TITLE: Tridecanedioic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Tridecanedioic acid
CH$NAME: DTXSID9021683
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₄
CH$EXACT_MASS: 244.1674592548
CH$SMILES: OC(=O)CCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
CH$LINK: CAS 505-52-2
CH$LINK: INCHIKEY DXNCZXXFRKPEPY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10458

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 243.1601828031
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0059-0490000000-b02fe56de08f1662557a
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  181.159789 53.361649 533
  199.170354 2.160231 21
  225.149618 100.000001 999
  243.160183 10.25015 102
//