MassBank Record: MSBNK-Keio_Univ-KO002980
ACCESSION: MSBNK-Keio_Univ-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
CH$LINK: INCHIKEY
KOSRFJWDECSPRO-WDSKDSINSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$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
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73.300 24752.5 3
74.700 19802.0 2
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105.200 178218.0 21
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111.400 564357.0 66
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129.100 534654.0 62
130.200 2896042.5 337
131.200 39604.0 5
135.100 19802.0 2
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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
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190.600 89109.0 10
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//