MassBank Record: KO000886



 Glu-Glu; 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: KO000886
RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 275 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0fb9-2900000000-67d30e7cf1fd6ff9ac80 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 41.700 34653.5 6 43.800 24752.5 4 54.200 168317.0 30 56.400 59406.0 10 58.000 54455.5 10 59.100 871288.0 153 67.000 272277.5 48 70.800 108911.0 19 73.400 74257.5 13 74.000 29703.0 5 82.100 673268.0 118 84.100 1039605.0 183 85.000 138614.0 24 86.000 123762.5 22 99.000 49505.0 9 99.900 153465.5 27 100.900 777228.5 137 102.000 5678223.5 999 109.200 653466.0 115 109.600 59406.0 10 111.200 173267.5 30 112.400 84158.5 15 112.900 396040.0 70 115.200 64356.5 11 123.000 29703.0 5 123.800 19802.0 3 125.000 29703.0 5 126.000 217822.0 38 127.200 2064358.5 363 128.000 5148520.0 906 128.600 143564.5 25 139.900 39604.0 7 140.200 118812.0 21 141.200 118812.0 21 143.400 232673.5 41 144.700 39604.0 7 146.100 915842.5 161 151.200 29703.0 5 153.000 44554.5 8 169.600 222772.5 39 //