Research Article

The Bridge between Screening and Assessment: Establishment and Application of Online Screening Platform for Food Risk Substances

Table 1

Content of a high-resolution spectrum library (example).

Name of compound in ChineseMieduoweiRetention time (° min)4.52
Name of compound in EnglishMethomylMass-to-charge ratio of parent ion163.05357
Chemical formulaC5H10N2O2SAdduct type[M + H]+
Mass162.04635Collisional energy(°V)40
CAS no.16752-77-5PolarityPositive
Mass-to-charge ratio 1 of fragment ions72.99807Relative peak intensity 1100
Mass-to-charge ratio 2 of fragment ions46.99500Relative peak intensity 249.03175
Mass-to-charge ratio 3 of fragment ions58.02874Relative peak intensity 347.68800
Mass-to-charge ratio 4 of fragment ions44.97935Relative peak intensity 435.73670
Mass-to-charge ratio 5 of fragment ions71.99025Relative peak intensity 533.51392
Mass-to-charge ratio 6 of fragment ions42.03383Relative peak intensity 624.29776
Mass-to-charge ratio 7 of fragment ions56.04948Relative peak intensity 716.21830
Mass-to-charge ratio 8 of fragment ions88.02155Relative peak intensity 86.12826
Mass-to-charge ratio 9 of fragment ions31.01784Relative peak intensity 93.93581
Mass-to-charge ratio 10 of fragment ions61.01065Relative peak intensity 103.00822
Mass-to-charge ratio 11 of fragment ions58.99500Relative peak intensity 112.85382
Mass-to-charge ratio 12 of fragment ions45.98717Relative peak intensity 122.27873
Mass-to-charge ratio 13 of fragment ions73.07603Relative peak intensity 131.48801
Mass-to-charge ratio 14 of fragment ions49.01065Relative peak intensity 141.24759
Mass-to-charge ratio 15 of fragment ions65.00556Relative peak intensity 151.11706