MassBank Record: MSBNK-Waters-WA000088

Thiabendazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

---

ACCESSION: MSBNK-Waters-WA000088
RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

---

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$LINK: CAS 148-79-8
CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021337

---

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

---

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 201.92
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

---

PK$SPLASH: splash10-0059-2910000000-230c1b878b547beead6e
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  65 180 180
  76 8 8
  91 290 290
  103 47 47
  118 16 16
  129 8 8
  131 807 807
  132 16 16
  134 24 24
  143 78 78
  156 8 8
  158 51 51
  169 24 24
  175 999 999
  176 20 20
  202 262 262
//