ACCESSION: MSBNK-EPA-ENTACT_AGILENT002335
RECORD_TITLE: Corodane; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Corodane
CH$NAME: DTXSID9047463
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: O=C1CC2CC1C1CCCC21
CH$IUPAC: InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2
CH$LINK: CAS 13380-94-4
CH$LINK: INCHIKEY OMIDXVJKZCPKEI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:96509

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$FOCUSED_ION: PRECURSOR_M/Z 151.1117415206
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-b9f05e2d88dc518beda3
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  45.033491 1.618349 16
  55.054227 1.418192 14
  61.007276 10.324687 103
  62.015101 4.487482 44
  63.994366 28.465578 284
  79.017841 100.000002 999
  79.054227 1.711001 17
  80.025666 1.126534 11
  109.064791 2.814575 28
  123.080441 2.09129 20
//