MassBank Record: KO004283

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Z-Gly-Pro; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: KO004283
RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID Z003

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$LINK: PUBCHEM SID:4782 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 307 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9210000000-c651f6a97509dbbe6fb6 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 70.200 108911.0 30 91.100 3663370.0 999 105.100 188119.0 51 110.900 14851.5 4 116.200 420792.5 115 119.900 400990.5 109 171.000 24752.5 7 176.900 19802.0 5 199.200 54455.5 15 248.400 24752.5 7 263.000 415842.0 113 307.500 54455.5 15 //