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MassBank Record: KO001511

4-Nitrophenyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001511
RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID N011

CH$NAME: 4-Nitrophenyl phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6NO6P
CH$EXACT_MASS: 218.99327
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(c1)OP(O)(O)=O
CH$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: CHEBI 17440
CH$LINK: CHEMPDB 4NP
CH$LINK: KEGG C03360
CH$LINK: NIKKAJI J32.922C
CH$LINK: PUBCHEM SID:6198
CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60861876

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 218
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-c63df6191601e73b27fb
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  45.900 69307.0 1
  58.800 44554.5 1
  78.900 176564533.0 999
  93.000 198020.0 1
  138.000 14851.5 1
  157.800 79208.0 1
  158.100 188119.0 1
  160.100 123762.5 1
  170.900 44554.5 1
  171.500 34653.5 1
  172.100 54455.5 1
  185.300 6168323.0 35
  218.100 1732675.0 10
//

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