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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,33 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000001 | ||
| RECORD_TITLE: Imazalil (Enilconazole); ESI-QTOF; MS2; CE: 10; [M+H]+ | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Imazalil (Enilconazole) | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C14H14Cl2N2O | ||
| CH$EXACT_MASS: 296.04832 | ||
| CH$SMILES: C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl | ||
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| CH$LINK: CAS 35554-44-0 | ||
| CH$LINK: CHEMSPIDER 34116 | ||
| CH$LINK: INCHIKEY PZBPKYOVPCNPJY-UHFFFAOYSA-N | ||
| AC$INSTRUMENT: N/A | ||
| AC$INSTRUMENT_TYPE: ESI-QTOF | ||
| AC$MASS_SPECTROMETRY: MS_TYPE MS2 | ||
| AC$MASS_SPECTROMETRY: ION_MODE POSITIVE | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,56 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000002 | ||
| RECORD_TITLE: Imazalil (Enilconazole); ESI-QTOF; MS2; CE: 40; [M+H]+ | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Imazalil (Enilconazole) | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C14H14Cl2N2O | ||
| CH$EXACT_MASS: 296.04832 | ||
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| AC$INSTRUMENT_TYPE: ESI-QTOF | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,47 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000003 | ||
| RECORD_TITLE: Imazalil (Enilconazole); ESI-QTOF; MS2; CE: 20; [M+H]+ | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Imazalil (Enilconazole) | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C14H14Cl2N2O | ||
| CH$EXACT_MASS: 296.04832 | ||
| CH$SMILES: C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl | ||
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| CH$LINK: CAS 35554-44-0 | ||
| CH$LINK: CHEMSPIDER 34116 | ||
| CH$LINK: INCHIKEY PZBPKYOVPCNPJY-UHFFFAOYSA-N | ||
| AC$INSTRUMENT: N/A | ||
| AC$INSTRUMENT_TYPE: ESI-QTOF | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,48 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000004 | ||
| RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 40; [M-H]- | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Hexaflumuron | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C16H8Cl2F6N2O3 | ||
| CH$EXACT_MASS: 459.98162 | ||
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| CH$LINK: CAS 86479-06-3 | ||
| CH$LINK: CHEMSPIDER 82839 | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,38 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000005 | ||
| RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 40; [M+H]+ | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Hexaflumuron | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C16H8Cl2F6N2O3 | ||
| CH$EXACT_MASS: 459.98162 | ||
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| CH$LINK: CHEMSPIDER 82839 | ||
| CH$LINK: INCHIKEY RGNPBRKPHBKNKX-UHFFFAOYSA-N | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,58 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000006 | ||
| RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 20; [M-H]- | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Hexaflumuron | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C16H8Cl2F6N2O3 | ||
| CH$EXACT_MASS: 459.98162 | ||
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| CH$LINK: CHEMSPIDER 82839 | ||
| CH$LINK: INCHIKEY RGNPBRKPHBKNKX-UHFFFAOYSA-N | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
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| ACCESSION: MSBNK-AGILENT-AG000007 | ||
| RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 10; [M+H]+ | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Hexaflumuron | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C16H8Cl2F6N2O3 | ||
| CH$EXACT_MASS: 459.98162 | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,31 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000008 | ||
| RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 20; [M+H]+ | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Hexaflumuron | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C16H8Cl2F6N2O3 | ||
| CH$EXACT_MASS: 459.98162 | ||
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| // |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,38 @@ | ||
| ACCESSION: MSBNK-AGILENT-AG000009 | ||
| RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 10; [M-H]- | ||
| DATE: 2023.02.17 | ||
| AUTHORS: Rennie E, McEachran A, Agilent Technologies | ||
| LICENSE: CC BY | ||
| CH$NAME: Hexaflumuron | ||
| CH$COMPOUND_CLASS: N/A | ||
| CH$FORMULA: C16H8Cl2F6N2O3 | ||
| CH$EXACT_MASS: 459.98162 | ||
| CH$SMILES: O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F | ||
| CH$IUPAC: InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28) | ||
| CH$LINK: CAS 86479-06-3 | ||
| CH$LINK: CHEMSPIDER 82839 | ||
| CH$LINK: INCHIKEY RGNPBRKPHBKNKX-UHFFFAOYSA-N | ||
| AC$INSTRUMENT: N/A | ||
| AC$INSTRUMENT_TYPE: ESI-QTOF | ||
| AC$MASS_SPECTROMETRY: MS_TYPE MS2 | ||
| AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE | ||
| AC$MASS_SPECTROMETRY: IONIZATION ESI | ||
| AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 | ||
| MS$FOCUSED_ION: PRECURSOR_M/Z 458.9743403052 | ||
| MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- | ||
| PK$SPLASH: splash10-000i-0010900000-41e490c2e54cdcdbbd97 | ||
| PK$NUM_PEAK: 12 | ||
| PK$PEAK: m/z int. rel.int. | ||
| 96.990673 1.926093 19 | ||
| 112.984932 2.15334 21 | ||
| 116.995758 1.806623 18 | ||
| 156.025501 2.110388 21 | ||
| 174.957929 1.722527 17 | ||
| 275.960013 14.671821 146 | ||
| 300.955262 3.085116 30 | ||
| 301.989838 1.746691 17 | ||
| 402.991434 12.166667 121 | ||
| 422.997663 4.58437 45 | ||
| 438.968112 100 999 | ||
| 458.97434 13.413253 133 | ||
| // |
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