Spectrum KO001058 for cis-4-Hydroxyproline

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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
131.05824314799997
O=C(O)C1NCC(O)C1

Mass Spectral Metadata

NameValue
KO001058
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
20 V
negative
0.8569254553427598
0.3164363256611641
130
[M-H]-
392.0549846152601 ppm
-0.05096714799998381 Da