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MassBank Record: PS034904

Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQ; MS2

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

ACCESSION: PS034904
RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, T8904.
COMMENT: PRIMe compound in-house ID 349
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Thiabendazole
CH$NAME: Decco
CH$NAME: Omnizole
CH$NAME: Bioguard
CH$NAME: LSP
CH$NAME: 2-(4-Thiazolyl)benzimidazole
CH$NAME: Lombristop
CH$NAME: Thiabendazol
CH$NAME: Bovizole
CH$NAME: Merfect
CH$NAME: Cropasal
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Thiabendazole
CH$FORMULA: C10H7N3S
CH$EXACT_MASS: 201.252
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$LINK: CAS 148-79-8
CH$LINK: KEGG D00372
CH$LINK: PUBCHEM CID:5430
CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 202.19

PK$SPLASH: splash10-0ufr-2960000000-a2153b994264f9559bc4
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  64.0 9636.0 59
  65.0 21603.0 131
  91.0 13021.0 79
  92.0 42302.0 257
  130.0 18253.0 111
  131.0 54460.0 331
  143.0 7089.0 43
  173.0 5871.0 36
  174.0 63964.0 389
  175.0 164426.0 999
  198.0 11107.0 67
  199.0 16081.0 98
  200.0 38064.0 231
  201.0 56140.0 341
  202.0 149870.0 911
  203.0 14148.0 86
  204.0 5803.0 35
//

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