MassBank Record: PT103260

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(4-nitrophenyl) dihydrogen phosphate, p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QTOF; MS2

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

ACCESSION: PT103260
RECORD_TITLE: (4-nitrophenyl) dihydrogen phosphate, p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; 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: Acquisition and generation of the data is financially supported in part by CREST/JST.
COMMENT: Build 1 2009/06/24

CH$NAME: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt
CH$NAME: pNPP
CH$NAME: (4-nitrophenyl) dihydrogen phosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phosphate CLASS3 Nitrophenyl phosphate
CH$FORMULA: C6H6NO6P
CH$EXACT_MASS: 219.0910000000000081854523159563541412353515625
CH$SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O
CH$IUPAC: InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
CH$LINK: CAS 330-13-2
CH$LINK: INCHIKEY XZKIHKMTEMTJQX-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$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 220.00107

PK$SPLASH: splash10-00dl-9550000000-2caf54e289b4f89bf43f
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  75.0237 11.4 76
  94.0412 150.4 999
  109.0279 10.58 70
  123.0313 9.3 62
  174.0079 85.18 566
  202.9983 31.06 206
  220.0011 76.31 507
//