Spectrum KO003116 for cis-4-Hydroxyproline

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/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
PMMYEEVYMWASQN-QWWZWVQMSA-N
C5H9NO3
131.058243148
O=C(O)C1NCC(O)C1

Mass Spectral Metadata

NameValue
KO003116
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 H048
131.05824
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
1.55191327062767
0.5477572925750265
132
[M+H]+
501.61475757577864 ppm
-0.06621314800000278 Da