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MassBank Record: MSBNK-EPA-ENTACT_AGILENT002470

R-(-)-Carvone; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002470
RECORD_TITLE: R-(-)-Carvone; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: R-(-)-Carvone
CH$NAME: DTXSID7041413
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CC1=CC[C@H](CC1=O)C(C)=C
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
CH$LINK: CAS 6485-40-1
CH$LINK: INCHIKEY ULDHMXUKGWMISQ-SECBINFHSA-N
CH$LINK: PUBCHEM CID:439570

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$SPLASH: splash10-004i-9000000000-39c3cb3d053d048484a0
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  45.033491 1.073086 10
  61.007276 2.88276 28
  63.994366 3.267063 32
  79.017841 100.000002 999
  79.054227 2.05507 20
  91.054227 1.432057 14
//

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