ACCESSION: MSBNK-Keio_Univ-KO000370
RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-000i-1900000000-11552e3273cc2d043659
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  78.900 1643566.0 257
  107.900 1519803.5 237
  138.000 6400996.5 999
  154.800 89109.0 14
//