MassBank Record: KO001731



 Phosphoramidon; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001731
RECORD_TITLE: Phosphoramidon; 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 P122

CH$NAME: Phosphoramidon CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H34N3O10P CH$EXACT_MASS: 543.19818 CH$SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O CH$IUPAC: InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1 CH$LINK: CAS 36357-77-4 CH$LINK: KEGG C00563 CH$LINK: NIKKAJI J18.388A CH$LINK: PUBCHEM SID:3843
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 542 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0002090000-33b035434d6b84041094 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 78.700 14851.5 1 96.800 113861.5 3 151.200 44554.5 1 192.000 84158.5 2 204.400 14851.5 1 209.100 14851.5 1 209.800 24752.5 1 225.600 64356.5 2 242.900 34653.5 1 246.300 94059.5 2 259.100 108911.0 3 260.100 24752.5 1 273.400 29703.0 1 308.100 19802.0 1 320.300 247525.0 6 321.000 34653.5 1 336.800 19802.0 1 362.100 39604.0 1 363.100 49505.0 1 378.500 8717830.5 217 389.200 79208.0 2 392.200 133663.5 3 395.300 19802.0 1 396.300 1663368.0 41 460.300 34653.5 1 481.900 64356.5 2 542.500 40148555.0 999 //