About the different databases that make up Sciquest -ERM with focus on how-to:

1. About the different databases that make up Sciquest-ERM with focus on how-to: Create new Materials in Sciquest-ERM

2. Key terms: Materials (or substances): An unique chemical or substance with associated properties such as CAS#, synonyms, structure and GHS safety information Container: An unique barcode-able item. Basically a vial, flask, bottle etc.. that needs to have a barcode. Container can have one material or many (mixtures). For each material (e.g. methanol) there could be a lot of containers. Consumables: Something that doesn’t need a barcode such as gloves, glassware but is e.g. ordered in Sciquest-ERM.

3. Databases in Sciquest-ERM: Structure (drawing) database Spendirector (vendor catalogues) Materials (substances) Lab container records >50,000 unique materials (mostly based on Sigma-Aldrich) Will grow further as time goes by and more materials are added. >10,000 containers (fewer materials). Each container has to be associated with a material in the material database +100,000 entries associated to CAS# which then may or may not match records in the material database >500,000 entries, perhaps >100,000 different materials that may or may not match records in the material database

4. Spendirector (vendor catalogues) Lab container records Materials (substances) 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol . . . Cont#1 (1-butanol) Cont#2 (2-butanol) Cont#3 (2-butanol) Cont#4 (2-pentanol) . . (Aldrich) 5 g of 1-butanol 10 g of 1-butanol 1 g of 1-pentanol 5 g of t-amyl alcohol 1 g of 1-dodecanol

5. Materials (substances) What happens when I want to create a new container? Lab container records a) Let’s say you want to create a new container of 2-pentanol 1. Search “2-pentanol” in substance registry (material database) 2. ERM finds a hit (2-pentanol) 3. You select 2-pentanol 4. You select “create container” 5. Fill in the required details, print label. 6. ERM now associates this container with the 2-pentanol material. 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol . . .

6. Materials (substances) What happens when I want to create a new container? Lab container records b) What if you try 1-decanol which is not in the material database? 1. Search “1-decanol” in substance registry (material database) 2. ERM can’t find a hit 3. You select “create new material” 4. You create a new record= 1-decanol and fill in all the safety details etc. 5. After that you can now select “create container” for 1-decanol and continue as before 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol . . .

7. Materials (substances) What happens when I want to create a new container? Lab container records b) What if you try 1-decanol which is not in the material database? 1. Search “1-decanol” in substance registry (material database) 2. ERM can’t find a hit 3. You select “create new material” 4. You create a new record= 1-decanol and fill in all the safety details etc. 5. After that you can now select “create container” for 1-decanol and continue as before 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol . . .

8. When would you need to create a new container? You made up a new solution or chemical that you wish to / need to give a barcode in Sciquest-ERM. Your lab is starting to use Sciquest-ERM and needs to add some/all of the inventory by hand. Your lab just moved from COSI to Sciquest-ERM and has to enter “mismatches” in manually. (only in Jan-Feb 2014) – you are picking something up from the store/got it delivered that wasn’t ordered via Sciquest-ERM

9. When would you need to create a new container? 5. BUT what about when I order things via Sciquest-ERM? Here the process is slightly different: You search for what you want via spendirector* You select it and then order it. As you do that a container is automatically created (and sometimes a material – see later) When goods arrive, they are receipted and then associated with the receiving location (e.g. store) If ordered via a store/delivery point you get an automated notification to pick up your container(s). When you do that, you will need to transfer it from the store/delivery location to your location (see video) *Or you order via “spotbuy” - see later.

10. How are materials matched when buying from Spendirector? Spendirector (vendor catalogues) Materials (substances) 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol . . . (Aldrich) 5 g of 1-butanol 10 g of 1-butanol 1 g of 1-pentanol 5 g of t-amyl alcohol 1 g of 1-dodecanol

11. Spendirector (vendor catalogues) How are materials matched when buying from Spendirector? Materials (substances) Let’s say you want to buy 2-pentanol from Aldrich 1. Search “2-pentanol” in spendirector and select the entry you want from Aldrich 2. ERM checks the “2-pentanol” record from Aldrich and tries to “match” it with the material database on the name and/or CAS# (if provided by supplier) 3. ERM finds a match in 2-pentanol 4. ERM associates the container you ordered with the 2-pentanol record in the material database. 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol . . .

12. Spendirector (vendor catalogues) How are materials matched when buying from Spendirector? Materials (substances) b) Let’s say you want to buy t-amyl alcohol from Aldrich 1. You search and select t-amyl alcohol from Aldrich 2. t-amyl is not directly listed in the material database. However, the entry for 2-methylbutan-2-ol also lists t-amyl alcohol as a synonym (they are the same!) 3. ERM matches your t-amyl alcohol order with 2-methylbutan-2-ol in the material database. However, the container will be labelled “t-amyl alcohol” (if you want to)! 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol . .

13. Spendirector (vendor catalogues) How are materials matched when buying from Spendirector? Materials (substances) c) Let’s say you want to buy 1-dodecanol from Aldrich 1. You search and select 1-dodecanol from Aldrich 2. 1-dodecanol is not listed in the material database. 3. ERM automatically creates a new material record in the material database + a container for 1-dodecanol pulling CAS# info etc from the vendor catalogue . 4. Later you need to add GHS info to this new material record for 1-dodecanol. 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol . . .

14. Spendirector (vendor catalogues) How are materials matched when buying from Spendirector? Materials (substances) c) Let’s say you want to buy 1-dodecanol from Aldrich 1. You search and select 1-dodecanol from Aldrich 2. 1-dodecanol is not listed in the material database. 3. ERM automatically creates a new material record in the material database + a container for 1-dodecanol pulling CAS# info etc from the vendor catalogue . 4. Later you need to add GHS info to this new material record for 1-dodecanol. 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol 1-dodecanol .

15. Spendirector (vendor catalogues) How are materials matched when buying from Spendirector? Materials (substances) d) Let’s say you want to buy “butanol” from Aldrich (unlikely they would sell it under that name) 1. You search and select butanol from Aldrich 2. Butanol matches 1-butanol AND 2-butanol in the material database. 3. ERM will ask to “match” your butanol purchase to either 1- or 2-butanol or a new entry called “butanol”. 4. You decide the appropriate response and continue as usual from there. 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol 1-dodecanol . .

16. Spendirector (vendor catalogues) How are materials matched when buying from Spendirector? Materials (substances) e) Let’s say you want to buy “gloves” from Aldrich 1. You search and select gloves from Aldrich 2. “gloves” are recognised as “consumables” and not “materials” by ERM. 3. ERM will therefore not try to create a container (=barcode) and will not do any matching/new material creation. 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-decanol 1-dodecanol . . The “consumable” function in ERM will be activated in Feb 2014 – do not order consumables via Sciquest until then!

17. How are materials matched when buying from Spotbuy? Materials (substances) By and large the material matching process is exactly the same when you order via Spendirector. In a nutshell 1. ERM tries to match your spotbuy to the database based on the “description” (usually catalogue name) or CAS# if you provide one when you create your spotbuy order. 2. If ERM doesn’t find a match it will automatically create a new material. 3. For multiple matches or “consumables” the process is also as before with the spendirector. 1-butanol 2-butanol 1-pentanol 2-pentanol 2-methylbutan-2-ol 1-dodecanol 1-decanol . .

18. What about structures? Structure (drawing) database Materials (substances) The structure database is different again. This one kicks in when you create a new material record or update an old one with a CAS# When ERM sees the CAS# in the material database it will use that to see if there is matching CAS# in the structure database. If ERM finds a match it will now associate a structure with the (new) material record. This process is automated – nothing for you to worry about. >50,000 unique materials (mostly based on Sigma-Aldrich) Will grow further as time goes by and more materials are added. +100,000 entries associated to CAS# which then may or may not match records in the material database

19. For more questions and information see our other Sciquest-ERM resources including hands-on demo video’s and cheatsheets about creating new materials and containers + the official ERM researcher manual Thank you!