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. 2022 Sep 28;9:1001671. doi: 10.3389/fnut.2022.1001671

Table 2.

HPLC and Orbitrap HRMS parameters of 12 mycotoxins.

Compounds (abbreviations) Molecular formula Ion Rt/min Measured m/z Theoretical m/z Fragment ions Error (ppm) NCE (%)
Ochratoxin A (OTA) C20H18ClNO6 [M+H]+ 13.44 404.08789 404.08954 358.08279, 257.02112 −4.08 10
Ochratoxin B (OTB) C20H19NO6 [M+H]+ 12.39 370.12781 370.12851 223.05954, 324.12219 −1.89 10
Aflatoxin B1 (AFB1) C17H12O6 [M+H]+ 11.41 313.06979 313.07066 285.07471, 270.05087 −2.78 50
Aflatoxin B2 (AFB2) C17H14O6 [M+H]+ 11.19 315.08524 315.08631 287.09055, 259.05942 −3.40 50
Aflatoxin G1 (AFG1) C17H12O7 [M+H]+ 10.76 329.06464 329.06558 243.06461, 215.6949 −2.86 50
Aflatoxin G2 (AFG2) C17H14O7 [M+H]+ 10.48 331.08035 331.08123 313.06967, 245.08006 −2.66 50
HT-2 toxin (HT-2) C22H32O8 [M+Na]+ 11.74 447.19690 447.19894 149.02306, 345.12979 −4.56 40
Sterigmatocystin (ST) C18H12O6 [M+H]+ 15.39 325.07004 325.07066 281.04382, 310.04620 −1.91 40
Diacetoxyscirpenol (DAS) C19H26O7 [M+Na]+ 10.70 389.15549 389.15707 89.05946, 133.08578 −4.06 50
Penicillic acid (PA) C8H10O4 [M+H]+ 4.92 171.06497 171.06518 125.05949, 72.04420 −1.23 40
Mycophenolic acid (MA) C17H20O6 [M+H]+ 12.30 321.13220 321.13326 207.06477, 159.04353 −3.30 40
Citreoviridin (CIT) C23H30O6 [M+H]+ 14.29 403.21017 403.21150 139.03871, 83.04883 −3.30 40