ACCESSION: MSBNK-EPA-ENTACT_AGILENT000260
RECORD_TITLE: 5,7-Dimethoxy-2H-chromen-2-one; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5,7-Dimethoxy-2H-chromen-2-one
CH$NAME: DTXSID1041421
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀O₄
CH$EXACT_MASS: 206.0579088082
CH$SMILES: COC1C=C(OC)C2C=CC(=O)OC=2C=1
CH$IUPAC: InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
CH$LINK: CAS 487-06-9
CH$LINK: INCHIKEY NXJCRELRQHZBQA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2775

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$FOCUSED_ION: PRECURSOR_M/Z 207.0651852599
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0950000000-4047fa490f3904c24a8c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  77.038577 3.369045 33
  78.046402 1.314577 13
  79.054227 2.02576 20
  91.054227 6.519592 65
  103.054227 3.288073 32
  105.069877 1.780985 17
  118.041316 2.443639 24
  119.049141 2.357642 23
  120.056966 1.916415 19
  121.064791 21.740788 217
  123.080441 1.506536 15
  133.028406 1.037306 10
  133.064791 3.849347 38
  147.044056 1.301932 13
  148.051881 9.489113 94
  149.02332 6.247566 62
  151.075356 20.86836 208
  162.031145 1.770188 17
  163.038971 9.435105 94
  163.075356 16.452372 164
  164.046796 24.095882 240
  179.070271 5.20168 51
  191.033885 1.966688 19
  192.04171 40.960346 409
  207.065185 100.000003 999
//