ACCESSION: MSBNK-RIKEN_ReSpect-PT200960
RECORD_TITLE: Pentachlorophenol, Permacide, Fungifen, PCP, Chlorophen, 2,3,4,5,6-pentachlorophenol; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Pentachlorophenol
CH$NAME: Permacide
CH$NAME: Fungifen
CH$NAME: PCP
CH$NAME: Chlorophen
CH$NAME: 2,3,4,5,6-pentachlorophenol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C₆HCl₅O
CH$EXACT_MASS: 266.338
CH$SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
CH$IUPAC: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
CH$LINK: CAS 87-86-5
CH$LINK: INCHIKEY IZUPBVBPLAPZRR-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 262.8392

PK$SPLASH: splash10-03di-0090000000-60df94932344c9ac45ca
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
262.8392 959.5 999
//