Spectrum PR020112 for trans-Zeatin-9-glucoside

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1
VYRAJOITMBSQSE-HNVSNYHQSA-N
C16H23N5O6
381.164833456
OCC(=CCNC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C(O)C3O)C

Mass Spectral Metadata

NameValue
PR020112
2016.01.19 (Created 2007.12.03, modified 2011.05.06)
Kojima M, Sakakibara H, Plant Science Center, RIKEN.
CC BY-SA
381.16483
UPLC Waters, Quattro Ultima Pt Micromass
LC-ESI-QQ
MS2
10.0 eV
Centroid
565 L/Hr
400 C
LOW-ENERGY CID
ESI
0.2 sec/scan (m/z=50-500)
140 C
3.1 kV
ACQUITY UPLC BEH C18 2.1 by 50 mm (Waters, Milford, MA, USA)
40 C
0.1/99.9 at 0 min, 9.0/91.0 at 2 min, 12.5/87.5 at 7 min, 30/70 at 10 min, 50/50 at 12 min, 50/50 at 13 min, 99.9/0.1 at 15 min
0.25 ml/min
6.55 min
53 V
CH3CN(0.05% HCOOH) / HCOOH(0.05% CH3CN)
381
MassLynx 4.0
positive
0.2863504851434754
0.2606474441412167
382
[M+H]+
452.36506806281915 ppm
-0.1728034559999969 Da