ACCESSION: MSBNK-EPA-ENTACT_AGILENT000051
RECORD_TITLE: Tricyclodecanedimethanol diacrylate; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Tricyclodecanedimethanol diacrylate
CH$NAME: DTXSID5044940
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H24O4
CH$EXACT_MASS: 304.1674592548
CH$SMILES: C=CC(=O)OCC1CCC2C1C1CC2C(C1)COC(=O)C=C
CH$IUPAC: InChI=1S/C18H24O4/c1-3-16(19)21-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-22-17(20)4-2/h3-4,11-15,18H,1-2,5-10H2
CH$LINK: CAS 42594-17-2
CH$LINK: INCHIKEY VEBCLRKUSAGCDF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3036974
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 305.1747357065
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-03di-0900000000-ee89bc37531fce04e3ae
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  79.054227 1.518068 15
  81.069877 7.713345 77
  91.054227 1.479354 14
  105.069877 7.414251 74
  119.085527 5.482025 54
  133.101177 13.778428 137
  161.132477 100 999
  233.153606 2.090615 20
//
