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MassBank Record: KO004127

Thiabendazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO004127
RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T028

CH$NAME: Thiabendazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H7N3S
CH$EXACT_MASS: 201.03607
CH$SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
CH$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$LINK: KEGG C07131
CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021337

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 202
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0090000000-9815589c9344d01433c0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
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  113.200 702971.0 9
  120.700 39604.0 1
  120.900 34653.5 1
  123.300 19802.0 1
  124.900 29703.0 1
  126.200 153465.5 2
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  137.400 19802.0 1
  138.200 74257.5 1
  141.700 54455.5 1
  142.300 54455.5 1
  143.000 59406.0 1
  148.900 34653.5 1
  152.200 54455.5 1
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  170.000 212871.5 3
  175.200 138614.0 2
  184.200 247525.0 3
  185.500 2985151.5 38
  202.300 79331762.5 999
//

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