ACCESSION: MSBNK-EPA-ENTACT_AGILENT002334
RECORD_TITLE: Corodane; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-9000000000-c49849e930d31dcc0ea3
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  45.033491 1.679106 16
  63.994366 4.923346 49
  79.017841 99.999996 999
  79.054227 1.958924 19
  133.101177 1.562786 15
//