MassBank Record: KO000885



 Glu-Glu; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000885
RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G043

CH$NAME: Glu-Glu CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16N2O7 CH$EXACT_MASS: 276.09575 CH$SMILES: OC(=O)CCC(N)C(=O)NC(CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H CH$LINK: PUBCHEM SID:4610
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 275 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0900000000-0720e223040855183139 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 54.000 54455.5 4 58.800 1143565.5 75 66.900 99010.0 6 73.000 39604.0 3 73.800 39604.0 3 82.400 608911.5 40 84.300 702971.0 46 84.900 128713.0 8 86.200 84158.5 5 95.200 49505.0 3 96.100 29703.0 2 99.400 29703.0 2 99.900 341584.5 22 101.100 618812.5 40 102.100 5336639.0 348 107.800 118812.0 8 109.300 935644.5 61 109.900 128713.0 8 110.800 678218.5 44 112.200 99010.0 6 113.000 292079.5 19 115.200 29703.0 2 126.200 143564.5 9 127.200 4000004.0 261 127.900 15311896.5 999 129.200 39604.0 3 139.700 24752.5 2 140.600 74257.5 5 140.900 346535.0 23 143.300 658416.5 43 145.000 267327.0 17 146.200 7465354.0 487 149.000 24752.5 2 150.800 158416.0 10 152.100 89109.0 6 153.000 103960.5 7 159.000 49505.0 3 166.800 34653.5 2 169.100 1277229.0 83 187.300 103960.5 7 195.500 287129.0 19 197.000 54455.5 4 213.500 579208.5 38 231.100 143564.5 9 239.300 252475.5 16 257.300 79208.0 5 275.200 193069.5 13 //