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MassBank Record: MSBNK-AGILENT-AG000046

Thiabendazole; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-AGILENT-AG000046
RECORD_TITLE: Thiabendazole; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

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

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 40

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

PK$SPLASH: splash10-003r-3900000000-2a1086a15d4cdf0408ce
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  65.038577 45.271706 452
  77.038577 3.909966 39
  90.033826 1.390163 13
  92.049476 25.278514 252
  102.033826 1.067754 10
  104.049476 13.255604 132
  118.05255 2.634924 26
  131.060375 100 999
  134.005896 4.701325 46
  142.05255 1.136929 11
  143.060375 8.915806 89
  157.063449 1.209066 12
  158.071274 1.713555 17
  170.071274 1.473321 14
  175.032445 54.197819 541
  202.043344 6.121307 61
//

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