Spectrum KO004120 for Tropine

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/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-
CYHOMWAPJJPNMW-RNLVFQAGSA-N
C8H15NO
141.1153641
OC1CC2N(C)C(CC2)C1

Mass Spectral Metadata

NameValue
KO004120
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 T024
141.11536
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
2.8403154105217276
0.7298166906371869
142
[M+H]+
868.549999999957 ppm
-0.1233340999999939 Da