Dataset

6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS070002 contains the MS2 mass spectrum of 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin with the InChIkey UZKQTCBAMSWPJD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)
SMILES CC(=CCNC1=NC=NC2=C1NC=N2)CO
InChI Key UZKQTCBAMSWPJD-UHFFFAOYSA-N
Molecular Formula C10H13N5O
Exact Mass 219.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS070002
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:25.727412
MetadataModified 2024-01-11T21:07:25.911375
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15333 ChEBI
50267036 BindingDB
DUTZOH CCDC
MCULE-7761672825 Mcule
15333 Rhea
123330 Brenda
15419 PubChem
SCHEMBL3670336 SureChEMBL
PD087002 ProbesDrugs
32771-64-5 ACToR
37036181 eMolecules
18594383 eMolecules
The data in this table is sourced from UniChem at EBI.