ACCESSION: MSBNK-EPA-ENTACT_AGILENT000049
RECORD_TITLE: Tricyclodecanedimethanol diacrylate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03e9-4900000000-c99790aba7a29ea27ede
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  55.017841 1.031729 10
  67.054227 8.576445 85
  77.038577 1.042734 10
  79.054227 11.019189 110
  81.069877 30.365797 303
  83.085527 2.011628 20
  91.054227 15.832401 158
  93.069877 6.51623 65
  95.085527 9.012321 90
  105.069877 25.473967 254
  119.085527 23.081688 230
  133.101177 40.767379 407
  161.132477 100.000004 999
  199.169256 1.271152 12
//