Spectrum PR020092 for trans-Zeatin riboside

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1
GOSWTRUMMSCNCW-HNNGNKQASA-N
C15H21N5O5
351.154268772
OCC(=CCNC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C

Mass Spectral Metadata

NameValue
53 V
PR020092
2016.01.19 (Created 2007.12.03, modified 2011.05.06)
Kojima M, Sakakibara H, Plant Science Center, RIKEN.
CC BY-SA
351.15427
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
9.89 min
CH3CN(0.05% HCOOH) / HCOOH(0.05% CH3CN)
351
MassLynx 4.0
positive
0.7550566789192588
0.5446582631334524
352
[M+H]+
460.9056022727936 ppm
-0.16223877200002335 Da