MassBank Record: MSBNK-EPA-ENTACT_AGILENT000261
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
//