Capsaicin and Dihydrocapsaicin Product Ion Spectra on LC/MS/MS on Kinetex 5u C18 100x2.1
LC Conditions
Column
Kinetex 5 µm C18 100 Å, LC Column 100 x 2.1 mm, Ea
Brand
Kinetex
Part No
00D-4601-AN
Phase Name
C18
Elution Type
Gradient
Mobile Phase
A: 0.1% Formic Acid in Water
B: 0.1% Formic Acid in Methanol
Gradient Profile
Step No.
Time(min)
%A
%B
1
0
70
30
2
7
10
90
3
9
10
90
4
9.1
70
30
5
12
70
30
Flow Rate
0.60 mL/min
Temperature
25°C
Detection
Mass Spectrometer (MS) @ (600°C)
Detection Info
Order Items Used in This Application
- 1. Capsaicin
- 2. Dihydrocapsaicin
-OEChem-05251004392D<br><br> 49 49 0 0 0 0 0 0 0999 V2000<br> 7.7331 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.2690 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.5369 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.0010 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br> 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 7.7331 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.5991 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 9.4651 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.5991 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.8671 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 9.4651 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 10.3312 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.5991 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.2690 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.2690 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.1350 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 7.1225 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 7.5210 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.3437 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 7.9451 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 9.2097 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.8112 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.2565 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.6550 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 10.0021 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.0622 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 10.0021 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.6116 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.2131 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.4641 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 10.0212 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 10.8681 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 10.6412 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.2891 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.0622 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 8.9091 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.6720 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.2690 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.8660 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.0000 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.4450 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.6720 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.8250 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 1 11 2 0 0 0 0<br> 2 19 1 0 0 0 0<br> 2 22 1 0 0 0 0<br> 3 21 1 0 0 0 0<br> 3 46 1 0 0 0 0<br> 4 11 1 0 0 0 0<br> 4 13 1 0 0 0 0<br> 4 36 1 0 0 0 0<br> 5 6 1 0 0 0 0<br> 5 7 1 0 0 0 0<br> 5 23 1 0 0 0 0<br> 5 24 1 0 0 0 0<br> 6 8 1 0 0 0 0<br> 6 25 1 0 0 0 0<br> 6 26 1 0 0 0 0<br> 7 10 1 0 0 0 0<br> 7 27 1 0 0 0 0<br> 7 28 1 0 0 0 0<br> 8 11 1 0 0 0 0<br> 8 29 1 0 0 0 0<br> 8 30 1 0 0 0 0<br> 9 12 1 0 0 0 0<br> 9 15 1 0 0 0 0<br> 9 16 1 0 0 0 0<br> 9 31 1 0 0 0 0<br> 10 12 2 0 0 0 0<br> 10 32 1 0 0 0 0<br> 12 33 1 0 0 0 0<br> 13 14 1 0 0 0 0<br> 13 34 1 0 0 0 0<br> 13 35 1 0 0 0 0<br> 14 17 2 0 0 0 0<br> 14 18 1 0 0 0 0<br> 15 37 1 0 0 0 0<br> 15 38 1 0 0 0 0<br> 15 39 1 0 0 0 0<br> 16 40 1 0 0 0 0<br> 16 41 1 0 0 0 0<br> 16 42 1 0 0 0 0<br> 17 19 1 0 0 0 0<br> 17 43 1 0 0 0 0<br> 18 20 2 0 0 0 0<br> 18 44 1 0 0 0 0<br> 19 21 2 0 0 0 0<br> 20 21 1 0 0 0 0<br> 20 45 1 0 0 0 0<br> 22 47 1 0 0 0 0<br> 22 48 1 0 0 0 0<br> 22 49 1 0 0 0 0<br>M END
Compound Name
Capsaicin
CID
1548943
Molecular Formula
C18H27NO3
Molecular Weight
305
No. Hydrogen Bond Acceptors
3
No. Hydrogen Bond Donors
2
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