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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001969

Butyl myristate; ESI-QTOF; MS2; CE: 20; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001969
RECORD_TITLE: Butyl myristate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Butyl myristate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.271530393
CH$SMILES: CCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3
CH$LINK: CAS 110-36-1
CH$LINK: INCHIKEY DHAZIUXMHRHVMP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8047

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

MS$FOCUSED_ION: PRECURSOR_M/Z 283.2642539413
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0090000000-e1030bb9e76e8ef0831c
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  283.264254 99.999999 999
//

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