VERIFY - Scientific Reference Database
A Scientific Reference Database for Chemical Disarmament
Introduction
VERIFY database has been developed
to assist chemical disarmament by
providing easy access to detailed
analytical reference data.
It contains synonyms, chemical and
physical basic data on chemicals as well
as their mass spectrometric, infrared
spectroscopic, NMR spectroscopic and
chromatographic data.
VERIFY database has been accepted
by the Organisation for the Prohibition
of the Chemical Weapons (the OPCW)
as its main analytical reference database.
Addition of user data to VERIFY is
easy.
Main menu of VERIFY database
Basic Data
The basic data for each chemical in
VERIFY includes trivial and IUPAC
name, molecular weight, formula and
structure. For each chemical, the
database can include several synonyms,
which can be used to find chemicals
using a synonym listing. The chemicals
have also classification according to their
nature as chemical weapons and the
OPCW schedules.
Basic identification data
for nerve agent sarin
includes naming and
categories.
Other pages display
information on physical
properties, toxicity,
naming, spectra etc.
Structure of the current
compound is always
visible on a separate
window for easy reference
VERIFY - Scientific Reference Database
A hyperlinked table of
relations allows the user
quickly to go through
whole chain of precursors
an degradation products
An innovative synonym
index allows the user
quickly find a compound
via any of the known
names
Security
To access the VERIFY database the user has to have a user code and password. Each user can be
granted different level on access to the database. This allows different users to see and update the
data and enables database administrator to exclude parts of the database from certain user.
An installation can comprise several databases of different contents, and each copy can have
different set of access rights.
VERIFY - Scientific Reference Database
Spectra
VERIFY database can include any
number of spectra on each chemical. The
available types of spectra are mass
spectrum (electron ionisation, chemical
ionisation or MS/MS spectrum), infrared
spectrum and NMR spectrum (1H, 13C,
19
F, 31P and 31P{1 H}). Also retention
index data is included in the database.
Listing of spectra included in
VERIFY for nerve agent sarin
Electron ionisation mass
spectrum of nerve agent
sarin
Infrared spectrum of nerve
agent sarin
VERIFY - Scientific Reference Database
Finding the Data
VERIFY database has various ways to
search and find pieces of data.
There is context sensitive find on all
forms to find data using user-selected
values and keywords. There is also
structure, mass spectrum and retention
index search available.
In addition to these built-in features, one
can also use separately available VERIFY
Query program, which enables user to
perform versatile ad-hoc queries.
Context sensitive find allows the user
easily focus on the data of interest.
Mass spectrum search window. The
search is based on finding ions
matching the user-specified ion list.
The search profile can be loaded
from file.
Structure search window. Chemical
structures can be drawn with a chemical
drawing program and pasted on the
form.
VERIFY - Scientific Reference Database
Exporting and importing spectra
VERIFY allows importing of spectra from various file formats including JCAMP-DX, AMDIS,
NIST and tabular format. Mass spectra can also be entered manually peak by peak from the
keyboard.
The user can export IR and NMR spectra in JCAMP-DX format and mass spectra in AMDIS or
JCAMP-DX formats. Spectra can be exported one by one or in batches.
Database Contents as of 1.8.2000
Each site can have several databases with different sets of data. VERIFIN maintains two
databases: Scientific Reference Database and OPCW Official Analytical Database. The former
contains all available material on compounds and the latter only spectra and retention indices
adopted by the conference of the state parties. Data marked "VERIFIN only" contains all data
submitted by VERIFIN.
Spectra/indices
Chemicals
Total
OPCW
Accepted
VERIFIN
Only
1925
2437
1343
1375
Mass spectra
636
1187
834
419
Infrared spectra
306
459
301
233
58
220
60*
220
214
571
148
503
Total
NMR spectra
Retention indices
* OPCW maintains NMR database as paper copy. NMR spectra added to the
database are all from VERIFIN.
VERIFY - Scientific Reference Database
Technical Data
Current version
3.2.8
Operation system
Microsoft Windows 95 or
Microsoft Windows 98 or
Microsoft Windows NT
Available configurations
Stand-alone
Server-client
Database engine
Inprise InterBase 5.5 (1 licence included)
available as both stand-alone and client-server
versions
Additional sofware
included
Accord run-time (1 licence included)
additional licences can be purchases separately
Disk space required
Software
Current Database
Additional requirements
Chemical drawing program is required to add
chemicals structures to compounds and to perform
substructure and similarity searches.
ca. 2.5 MB
ca. 80 MB
Contact information
Contact address
VERIFIN
P.O. Box 55
FIN-00014 University of
Helsinki
Oy Fision Ltd
Uuskartanontie 18 E 10
00220 Espoo
Telephone
+358-9-191 40442
+358-9-8673 9390
Fax
+358-9-191 40437
+358-9-8673 9391
WWW
http://www.verifin.helsinki.fi
n.a.
e-mail
[email protected]
[email protected]