Spectrum RP018512 for 2-Hydroxyphenanzine

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/C12H8N2O/c15-8-5-6-11-12(7-8)14-10-4-2-1-3-9(10)13-11/h1-7,15H
RETSEGNZNUBJRB-UHFFFAOYSA-N
C12H8N2O
196.063662876
OC1=CC=C2N=C3C=CC=CC3=NC2=C1

Mass Spectral Metadata

NameValue
2017.11.29
RP018512
BGC, Helmholtz Zentrum Muenchen
CC BY
Copyright (C) 2017
196.0637
maXis plus UHR-ToF-MS, Bruker Daltonics
LC-ESI-QTOF
MS2
ESI
CID
20
BEH C18 1.7um, 2.1x100mm, Waters
95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min
400 uL/min
3.679 min
Water with 0.1% formic acid
ACN with 0.1% formic acid
Peaks with additional N2/O included
RMassBank 2.4.0
negative
0.4103234801318285
0.5919716499464901
195.0564
[M-H]-
0.06728310371589355 ppm
1.3123999991648816E-5 Da