ACCESSION: MSBNK-RIKEN_ReSpect-PT203250
RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-nitrophenol, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; 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$NAME: Niphen
CH$NAME: p-Nitrophenol
CH$NAME: Paranitrophenol
CH$NAME: 4-Hydroxynitrobenzene
CH$NAME: 4-nitrophenol
CH$NAME: 4-Nitrophenol
CH$NAME: 4-Nitrohydroxybenzene
CH$NAME: PNP
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phenol CLASS3 Other
CH$FORMULA: C₆H₅NO₃
CH$EXACT_MASS: 139.11
CH$SMILES: C1=CC(=CC=C1[N+](=O)[O-])O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
CH$LINK: CAS 100-02-7
CH$LINK: INCHIKEY BTJIUGUIPKRLHP-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 138.01914

PK$SPLASH: splash10-052r-0900000000-1279a141e229fec8dbd4
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  92.0285 231.4 59
  108.0228 2249.0 572
  138.0191 3925.0 999
  138.3134 376.9 96
//