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MassBank Record: KO000368

Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000368
RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:30 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 B069

CH$NAME: Bis(p-nitrophenyl)phosphate
CH$NAME: Bis-4-nitrophenyl phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H9N2O8P
CH$EXACT_MASS: 340.00965
CH$SMILES: [O-1][N+1](=O)c(c2)ccc(c2)OP(O)(=O)Oc(c1)ccc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
CH$LINK: CAS 645-15-8
CH$LINK: KEGG C03779
CH$LINK: NIKKAJI J205.923A
CH$LINK: PUBCHEM SID:6530
CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20870742

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 339
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-1908000000-b360365d152403c9df04
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  59.100 19802.0 4
  78.800 658416.5 149
  91.000 24752.5 6
  102.600 9901.0 2
  108.000 29703.0 7
  138.100 4321786.5 976
  153.200 54455.5 12
  154.900 64356.5 15
  170.000 9901.0 2
  199.900 148515.0 34
  216.900 69307.0 16
  293.100 168317.0 38
  309.200 69307.0 16
  339.100 4425747.0 999
//

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