ACCESSION: MSBNK-EPA-ENTACT_AGILENT000261
RECORD_TITLE: 5,7-Dimethoxy-2H-chromen-2-one; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-004m-9800000000-cabeb0468c4eaabb469f
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  39.022927 4.398223 43
  41.038577 1.388397 13
  43.017841 2.262967 22
  45.033491 1.670235 16
  51.022927 8.561548 85
  52.030752 2.203422 22
  53.002191 1.414927 14
  53.038577 7.023822 70
  55.017841 8.387318 83
  59.012756 2.750979 27
  62.015101 1.014804 10
  63.022927 1.251287 12
  65.038577 55.165263 551
  66.046402 1.352163 13
  67.054227 2.576698 25
  68.997106 6.563632 65
  75.022927 1.060361 10
  76.030752 2.242074 22
  77.038577 66.557455 664
  78.046402 61.80624 617
  79.017841 1.474462 14
  79.054227 25.572135 255
  80.025666 1.118386 11
  80.062052 2.816356 28
  81.033491 1.818299 18
  82.004931 1.889468 18
  88.030752 2.9229 29
  89.038577 14.864235 148
  90.046402 18.618182 185
  91.054227 78.220283 781
  92.025666 2.049046 20
  93.033491 13.311398 132
  93.069877 1.002137 10
  94.041316 1.560412 15
  95.012756 3.769846 37
  97.028406 1.101463 11
  103.017841 4.454227 44
  103.054227 3.809377 38
  105.033491 8.445895 84
  106.041316 14.469711 144
  107.012756 2.135008 21
  107.049141 17.470517 174
  108.020581 1.067049 10
  108.056966 5.907427 59
  109.028406 1.617048 16
  110.036231 1.486246 14
  116.025666 1.449564 14
  117.033491 2.937082 29
  118.041316 7.388969 73
  119.049141 7.316529 73
  120.056966 1.311805 13
  121.028406 51.288536 512
  121.064791 17.659398 176
  131.012756 5.657666 56
  133.028406 7.401762 73
  134.036231 8.713192 87
  135.044056 21.365803 213
  136.051881 1.272677 12
  145.028406 2.243979 22
  146.036231 10.091212 100
  147.044056 2.279987 22
  148.051881 2.320889 23
  149.02332 100.000002 999
  151.075356 2.183649 21
  162.031145 4.911743 49
  163.038971 20.314195 202
  164.046796 18.801705 187
  173.02332 1.303536 13
  191.033885 7.700079 76
  192.04171 3.798937 37
//