MassBank Record: KO002979



 Glu-Glu; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002979
RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:10 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 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) 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 277 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a6r-0090000000-efe40fa35a6a89ca40d0 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 68.100 14851.5 1 74.700 19802.0 1 75.200 24752.5 1 82.900 44554.5 2 84.100 14851.5 1 87.300 14851.5 1 91.000 44554.5 2 95.300 14851.5 1 104.900 69307.0 3 105.400 29703.0 1 108.900 9901.0 1 111.500 69307.0 3 115.100 54455.5 3 122.400 143564.5 7 123.000 64356.5 3 128.700 108911.0 5 129.500 69307.0 3 130.900 29703.0 1 132.700 19802.0 1 137.000 44554.5 2 143.100 34653.5 2 145.700 44554.5 2 146.600 39604.0 2 147.900 39604.0 2 149.000 24752.5 1 156.800 237624.0 11 159.300 19802.0 1 163.000 44554.5 2 165.000 39604.0 2 167.100 39604.0 2 169.000 19802.0 1 170.900 84158.5 4 172.700 14851.5 1 175.400 59406.0 3 186.800 188119.0 9 195.000 39604.0 2 198.300 69307.0 3 199.000 232673.5 11 200.500 44554.5 2 205.200 24752.5 1 213.300 311881.5 15 215.000 188119.0 9 217.400 1405942.0 68 219.100 24752.5 1 223.100 94059.5 5 224.400 49505.0 2 228.300 54455.5 3 241.300 1460397.5 70 245.200 381188.5 18 258.200 14851.5 1 259.300 20767347.5 999 260.600 1678219.5 81 277.600 19945564.5 959 //