MassBank Record: MSBNK-Keio_Univ-KO000884
ACCESSION: MSBNK-Keio_Univ-KO000884
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
CH$LINK: INCHIKEY
KOSRFJWDECSPRO-WDSKDSINSA-N
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 275
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0960000000-728dc6f8611998438e9f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
59.000 1242575.5 68
81.900 24752.5 1
84.200 29703.0 2
99.100 39604.0 2
100.100 59406.0 3
101.600 113861.5 6
102.000 643565.0 35
109.200 148515.0 8
110.200 29703.0 2
110.900 495050.0 27
126.700 455446.0 25
127.900 18326751.0 999
128.600 455446.0 25
141.000 59406.0 3
143.300 34653.5 2
146.100 11851497.0 646
148.700 54455.5 3
151.400 133663.5 7
168.900 410891.5 22
187.400 49505.0 3
193.100 371287.5 20
195.500 529703.5 29
201.700 49505.0 3
213.400 1094060.5 60
231.100 287129.0 16
239.300 2163368.5 118
242.500 59406.0 3
257.200 4990104.0 272
275.200 15297045.0 834
//