MassBank Record: KO009084

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Z-Gly-Pro; LC-ESI-IT; MS3; m/z: 307/263; [M+H]+
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: KO009084
RECORD_TITLE: Z-Gly-Pro; LC-ESI-IT; MS3; m/z: 307/263; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID Z003
COMMENT: [MS2] KO009083

CH$NAME: Z-Gly-Pro CH$NAME: Z-Gly-Pro-OH CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H18N2O5 CH$EXACT_MASS: 306.12157 CH$SMILES: O=C(OCc(c2)cccc2)NCC(=O)N(C1)C(CC1)C(O)=O CH$IUPAC: InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20) CH$LINK: CAS 1160-54-9 CH$LINK: KEGG C01632 CH$LINK: NIKKAJI J203.419K CH$LINK: PUBCHEM 4782 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.80
MS$FOCUSED_ION: PRECURSOR_M/Z 307/263 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-014i-1900000000-5b353004f33f8fe2a043 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 91.1 10340.97 259 92.7 5.81 1 114.1 101.19 3 116.1 39917.62 999 116.7 2.81 1 119.4 42.29 1 120.1 10272.29 257 125.1 326.11 8 127.1 407.69 10 143.0 17.67 1 153.0 35.19 1 155.1 340.78 9 160.2 4.19 1 166.0 1875.62 47 171.0 748.09 19 185.0 22.33 1 189.1 5.24 1 206.1 630.23 16 217.1 351.59 9 235.1 24.86 1 245.2 53.38 1 263.1 46.76 1 //