MassBank Record: MSBNK-EPA-ENTACT_AGILENT002493

Ethyl tetradecanoate; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002493
RECORD_TITLE: Ethyl tetradecanoate; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Ethyl tetradecanoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.2402302654
CH$SMILES: CCCCCCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
CH$LINK: CAS 124-06-1
CH$LINK: INCHIKEY MMKRHZKQPFCLLS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:31283

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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 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 255.2329538137
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0a4i-0090000000-3fa2857acaa78f861f94
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  255.232954 99.999999 999
//