Spectrum WA002417 for Yohimbine

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/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
BLGXFZZNTVWLAY-SCYLSFHTSA-N
C21H26N2O3
354.19434269199996
O=C(OC)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5NC4C3CC12

Mass Spectral Metadata

NameValue
WA002417
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
354.19434
ZQ, Waters
LC-ESI-Q
MS1
ESI
12.860 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
75 V, 90 V
ignore rel.int. < 5
positive
2.409662913668988
0.6724292392625515