MassBank Record: KO002980



 Glu-Glu; 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: KO002980
RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:20 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 277 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0536-1490000000-8980a9f00ec3dacdb43b PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 68.900 29703.0 3 71.000 64356.5 7 73.300 24752.5 3 74.700 19802.0 2 76.500 9901.0 1 80.700 34653.5 4 84.000 3777231.5 439 85.100 39604.0 5 89.100 59406.0 7 97.300 128713.0 15 99.000 19802.0 2 102.000 653466.0 76 105.200 178218.0 21 105.700 54455.5 6 111.400 564357.0 66 115.000 34653.5 4 122.900 24752.5 3 129.100 534654.0 62 130.200 2896042.5 337 131.200 39604.0 5 135.100 19802.0 2 147.000 64356.5 7 148.300 2732676.0 318 157.200 79208.0 9 160.900 9901.0 1 162.900 19802.0 2 167.200 371287.5 43 167.800 24752.5 3 170.900 44554.5 5 171.500 19802.0 2 174.800 19802.0 2 180.800 14851.5 2 184.000 29703.0 3 185.400 84158.5 10 187.100 59406.0 7 190.600 89109.0 10 195.300 1168318.0 136 199.200 74257.5 9 200.500 29703.0 3 204.000 14851.5 2 213.300 1866338.5 217 217.300 128713.0 15 221.300 14851.5 2 223.300 584159.0 68 231.600 34653.5 4 241.300 8589117.5 999 242.400 242574.5 28 245.600 94059.5 11 259.400 8113869.5 944 260.500 371287.5 43 277.200 178218.0 21 //