MassBank Record: MSBNK-Waters-WA000046

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

---

ACCESSION: MSBNK-Waters-WA000046
RECORD_TITLE: Cloquintocet-mexyl; 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$NAME: Cloquintocet-mexyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₂ClNO₃
CH$EXACT_MASS: 335.12882
CH$SMILES: CCCCCC(C)OC(=O)COc(c1)c(n2)c(ccc2)c(Cl)c1
CH$IUPAC: InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
CH$LINK: CAS 99607-70-2
CH$LINK: INCHIKEY COYBRKAVBMYYSF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3041794

---

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 336
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

---

PK$SPLASH: splash10-000l-0980000000-ad3a9fb44d2cb3749760
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  179 478 478
  192 654 654
  193 16 16
  220 67 67
  238 999 999
  239 24 24
//