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MassBank Record: PT103250

Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-nitrophenol, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT103250
RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-nitrophenol, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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 POSITIVE
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 140.03474

PK$SPLASH: splash10-0002-9200000000-bff0a2a3c15629cc6ec2
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  93.0356 5.051 99
  98.9637 50.94 999
  99.5112 5.211 102
  123.0336 10.82 212
  140.0347 3.674 72
//

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