| Groups search result 24 for "tobias Kind" |
"Little, James" wrote:
} We have had good success using the TSCA Inventory (list of chemical
} substances in use in the United States). We employ either the MW or MF
} obtained by LC-MS data. For more information, go to the section on NIST
} Search: Standard PC Approach, and look for TSCA link.
...snip ...snip :-)
and now the important thing:
}
} "A Little Mass Spectrometry and Sailing":
} http://users.chartertn.net/slittle
Dear James,
Again - thank you very much.
Detailed instructions - its really fun (=work) to read all the new things.
I know TSCA is not CAS, but I found on-the-fly some interesting
compounds.
A good example for a former "unknown" CAS is:
Benzene, 1,1'-(2,2,2-trichloroethylidene)bis-
Formula: C14H11Cl3
MW: 284 CAS#: 2971-22-4 NIST#: NA
It was not found before. But now its here in "my house".
Really good together with the isotopic calculator and/or HRGCMS.
Another good example:
C16H35O2PS2: 0 hits before - 5 hits now.
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But there's still a "large" gap.
If you look at some very "problematic" PAH-structures
like C21H14 you will only find a few substances in
NIST and Wiley but around 32 in ChemIDPlus with
detailed records and toxicological research since 30 or 40 years.
OK, they have all a molecular weight of 266 and spectra are
not very different. But to "know" about it is important.
Again I can go to the
Polycyclic Aromatic Hydrocarbon Structure Index from NIST
http://ois.nist.gov/pah/
and search for all the 252-PAHs and can now calulate
and think about all possible isomers (252-1+15)....
But it takes time...
But its good to have some more substances now :-)
With kind regards
Tobias Kind
PS: 17831-67-3 was not found :-(
PPS: Ahhh it was found in ISPRA at the
Existing Chemicals Bureau (former EINECS)
http://ecb.ei.jrc.it/existing-chemicals/
©2002 Google
