Spectrum KO003989 for Sarcosine

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/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
C3H7NO2
89.047678464
O=C(O)CNC

Mass Spectral Metadata

NameValue
KO003989
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID S014
89.04768
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
0.6672356465416237
0.2782588773207565
90
[M+H]+
618.3162666666755 ppm
-0.055648464000000786 Da