Spectrum CCMSLIB00005436022 for Pivampicillin

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
33817-20-8
InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1
C22H29N3O6S
463.177706648
O=C(OCOC(=O)C(C)(C)C)C1N2C(=O)C(N=C(O)C(N)C=3C=CC=CC3)C2SC1(C)C
ZEMIJUDPLILVNQ-ZXFNITATSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
0.0
0
f.kudzanai2003/Kudzi 2/M5.mzXML;
MS2
GNPS-LIBRARY
kudzanai2003, Kudzanai Tapfuma
positive
3.905958409830557
0.7084445251146946
486.168
[M+Na]+
1.076483849120534 ppm
5.233519999592318E-4 Da