MassBank Record: KO001733



 Phosphoramidon; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001733
RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 542 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-8119000000-e07758fccb5a6b44deb1 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 63.500 9901.0 1 79.000 8539612.5 604 93.300 39604.0 3 96.100 1663368.0 118 97.100 3044557.5 215 115.800 19802.0 1 131.200 44554.5 3 138.700 34653.5 2 143.800 9901.0 1 151.400 49505.0 4 159.200 29703.0 2 160.800 24752.5 2 164.400 386139.0 27 169.600 39604.0 3 178.200 138614.0 10 188.400 138614.0 10 188.800 34653.5 2 191.500 64356.5 5 192.200 2054457.5 145 200.900 39604.0 3 203.200 381188.5 27 210.200 84158.5 6 213.000 49505.0 4 218.900 19802.0 1 225.300 831684.0 59 243.300 336634.0 24 246.700 24752.5 2 248.100 64356.5 5 249.100 257426.0 18 259.400 74257.5 5 260.100 44554.5 3 261.100 24752.5 2 265.000 49505.0 4 281.300 74257.5 5 302.400 128713.0 9 310.800 19802.0 1 316.400 59406.0 4 320.100 39604.0 3 320.500 29703.0 2 334.800 123762.5 9 338.000 9901.0 1 340.200 19802.0 1 378.300 14118826.0 999 542.600 49505.0 4 //