Comparing Rational Numbers™ Excel
Add-In and Rational Numbers™ Search

Compound The Excel Add-In
(Pattern Recognition)
The Search Results
(Pattern Matching)
Miscellaneous
chloramphenicol MS/MS
C11H12N2O5Cl2
PubChem 5959
chloramphenicol chloramphenicol
Miscellaneous
aspartame MS/MS
C14H18N2O5
PubChem 134601
aspartame aspartame
Miscellaneous
fluconazole MS/MS
C13H12N6OF2
PubChem 3365
fluconazole fluconazole
Miscellaneous
xemilofiban MS/MS
C18H22N4O4
PubChem 3033830
xemilofiban xemilofiban
Miscellaneous
glycovir MS/MS
C26H45N1O8
PubChem 60807
glycovir glycovir
Miscellaneous
bosentan MS/MS
C27H29N5O6S
PubChem 104865
bosentan bosentan
Miscellaneous
desmethyl bosentan MS/MS
C26H27N5O6S
PubChem 6426756
desmethyl bosentan desmethyl bosentan
not in database of 250000 compounds
Miscellaneous
Puromycin MS/MS
C22H29NO5
PubChem 439530
Puromycin Puromycin
Miscellaneous
reserpine MS/MS
C33H40N2O9
PubChem 5770
reserpine reserpine
Miscellaneous
verapamil MS/MS
C27H38N2O4
PubChem 2520
verapamil verapamil
Miscellaneous
leucine enkephalin MS/MS
C28H37N5O7
PubChem 3903
leucine enkephalin leucine enkephalin
Miscellaneous
methionine enkephaline MS/MS
C27H35N5O7S
PubChem 42785
methionine enkephalin methionine enkephalin
MH+ ion exceeds 5 mDa error window
Miscellaneous
isopentenyladenosine MS/MS
C15H21N5O4
PubChem 24405
isopentenyladenosine isopentenyladenosine
Miscellaneous
thiamine monophosphate MS/MS
actual data
C12H17N4O4SP
PubChem 10761
thiamine monophosphate thiamine monophosphate
Miscellaneous
thiamine monophosphate MS/MS
theoretical data
C12H17N4O4SP
PubChem 10761
thiamine monophosphate thiamine monophosphate
Miscellaneous
malathion CID-MS
C10H17N6S2P
PubChem 4004
malathion malathion
Miscellaneous
Phosphocholine MS/MS spectrum
C5H15N1O4P
PubChem 7886
Phosphocholine Phosphocholine
Miscellaneous
Vecuronium Br MS/MS spectrum
C34H57N2O4Br
PubChem 39764
Vecuronium Bromide Vecuronium Bromide
Miscellaneous
lorazepam MS/MS spectra
C15H10N2O2Cl2
PubChem 3958
lorazepam lorazepam
Miscellaneous
trans-aconitate MS/MS spectrum
C6H6O6
PubChem 444212
trans-aconitic acid trans-aconitic acid
Miscellaneous
trans-aconitate plus TFA MS/MS spectrum
C6H6O6
PubChem 444212
trans-aconitic acid plus TFA trans-aconitic acid plus TFA
CASMI 2013 Challenge 1
feruloyl tyramine MS/MS
C18H19NO4
PubChem 5280537
feruloyl tyramine feruloyl tyramine
CASMI 2013 Challenge 2
feruloyl putrescine MS/MS
C14H20N2O3
PubChem 5281796
feruloyl putrescine
feruloyl putrescine
CASMI 2013 Challenge 3
acetyl-Gln-Leu-amide MS/MS
C13H24N4O4
PubChem 23275745
acetyl-Gln-Leu-amide acetyl-Gln-Leu-amide
CASMI 2013 Challenge 4
dihydrochalcone MS/MS
C15H14O
PubChem 64802
dihydrochalcone dihydrochalcone
CASMI 2013 Challenge 5
isoprothiolane MS/MS
C12H18O4S2
PubChem 39681
isoprothiolane isoprothiolane
CASMI 2013 Challenge 6
phosphatidyl-6-acetyl-glucose(18:0/20:0)MS/MS
C49H93O14P
PubChem 70698918
phosphatidyl-6-acetyl-glucose(18:0/20:0) phosphatidyl-6-acetyl-glucose(18:0/20:0)
CASMI 2013 Challenge 7
cinnamtannin A3 MS/MS
C75H62O30
PubChem 16129741
exceeds 999 dalton limit exceeds 999 dalton limit
CASMI 2013 Challenge 8
Prodelphinidin C2 MS/MS
C45H38O20
PubChem 71623698
exceeds 5 mDa maximum error (11 mDa) exceeds 5 mDa maximum error (11 mDa)
not in the database of 250000 compounds
CASMI 2013 Challenge 9
chlorpyrifos MS/MS
C9H11NO3SPCl3
PubChem 2730
chlorpyrifos chlorpyrifos
CASMI 2013 Challenge 10
ValHisLeuThrProValGluLys MS/MS
C42H71N11O12
PubChem 14818845
ValHisLeuThrProValGluLys ValHisLeuThrProValGluLys
not in the database of 250000 compounds
CASMI 2013 Challenge 11
demethoxycurcumin MS/MS
C20H18O5
PubChem 5324476
PubChem 5469424
demethoxycurcumin demethoxycurcumin
CASMI 2013 Challenge 12
baicalein MS/MS
C15H10O5
PubChem 5281605
baicalein baicalein
CASMI 2013 Challenge 13
aloxistatin MS/MS
C17H30N2O5
PubChem 65663
aloxistatin aloxistatin
CASMI 2013 Challenge 14
tetrahydroalstonine MS/MS
C21H24N2O3
PubChem 72340
tetrahydroalstonine tetrahydroalstonine
CASMI 2013 Challenge 15
perfluorooctylethanol MS/MS
C10H5OF17
PubChem 69619
perfluorooctylethanol perfluorooctylethanol
CASMI 2013 Challenge 16
ofloxacin MS/MS
C18H20N3O4F
PubChem 4583
ofloxacin ofloxacin