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397.049988 | 1 | [
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235.024811 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | COC1C(=O)C(=O)c2cc(O)cc(O)c2C1=O | [M-H]- | Naphthoquinones |
278.139801 | -1 | [
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596.355469 | 1 | [
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173.035645 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | O=c1cc2ccccc2n[nH]c1=O | [M-H]- | Quinazoline alkaloids |
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679.442688 | -1 | [
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795.174438 | 1 | [
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163.076447 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC(C)c1ccc(C=O)c(O)c1 | [M-H]- | Menthane monoterpenoids |
479.408997 | 1 | [
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164.057785 | -1 | [
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149.028 | -1 | [
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] | 10-20-40 | cfm-predict 4 | true | COC(=O)C12OCC34C(CC5C(C)CC(=O)C(=O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24 | [M-H]- | Quassinoids |
181.050003 | -1 | [
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447.162537 | 1 | [
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263.148895 | 1 | [
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] | 10-20-40 | cfm-predict 4 | true | CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O | [M+H]+ | Oleanane triterpenoids |
223.076401 | 1 | [
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147.080002 | 1 | [
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325.070007 | 1 | [
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341.108002 | -1 | [
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138.054962 | 1 | [
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617.179993 | 1 | [
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747.376343 | -1 | [
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213.015976 | 1 | [
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] | 45HCD | ESI-QFT | false | O=C(O)C1=CC(O)C(O)C(O)C1 | [M+K]+ | Shikimic acids and derivatives |
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] | 10-20-40 | cfm-predict 4 | true | CC(C(=O)O)=C1C=C2c3c(c4ccccc4n3C)CC(C(=O)O)N2C1=O | [M+H]+ | Carboline alkaloids |
383.222778 | -1 | [
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