MassBank Record: MSBNK-AGILENT-AG000047

Thiabendazole; ESI-QTOF; MS2; CE: 10; [M+H]+

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ACCESSION: MSBNK-AGILENT-AG000047
RECORD_TITLE: Thiabendazole; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

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CH$NAME: Thiabendazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇N₃S
CH$EXACT_MASS: 201.03607
CH$SMILES: C1=NC(=CS1)C1NC2C=CC=CC=2N=1
CH$IUPAC: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
CH$LINK: CAS 148-79-8
CH$LINK: CHEMSPIDER 5237
CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N

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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 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 202.0433444272
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

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PK$SPLASH: splash10-0udi-0090000000-463e689ad4f08340807b
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  175.032445 2.173715 21
  202.043344 100 999
//