MassBank Record: MSBNK-RIKEN_ReSpect-PS034904
ACCESSION: MSBNK-RIKEN_ReSpect-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
//