ACCESSION: MSBNK-EPA-ENTACT_AGILENT000050
RECORD_TITLE: Tricyclodecanedimethanol diacrylate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-05po-9300000000-93772714bac1c9ce7d70
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41.038577 6.217912 62
  43.054227 2.424017 24
  51.022927 1.236214 12
  55.017841 3.107497 31
  55.054227 12.01522 120
  65.038577 1.62996 16
  67.054227 46.024034 459
  69.069877 5.587324 55
  73.028406 2.432198 24
  77.038577 20.563161 205
  79.054227 65.344794 652
  81.069877 83.136586 830
  83.085527 2.207221 22
  91.054227 99.999997 999
  93.069877 31.314681 312
  95.085527 39.03743 389
  103.054227 1.919845 19
  104.062052 1.119264 11
  105.069877 73.050554 729
  107.085527 5.918517 59
  117.069877 2.124859 21
  119.085527 37.000578 369
  120.093352 1.669549 16
  131.085527 3.809482 38
  133.101177 25.680156 256
  159.116827 1.299335 12
  161.132477 10.577313 105
//