Spectrum KO003702 for Phenyl phosphate

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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/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
CMPQUABWPXYYSH-UHFFFAOYSA-N
C6H7O4P
174.00819533400002
O=P(O)(O)OC=1C=CC=CC1

Mass Spectral Metadata

NameValue
KO003702
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 P033
174.0082
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
2.3485588384460785
0.797625236951233
175
[M+H]+
92.37333714297945 ppm
-0.016165334000021403 Da