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Product Specifications

Phenolic Acids & Alcohols Standard Mixture - 5

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TABLE OF COMPOSITION

CAS
Verified Purity
RT
Mass
Comp
2,3,4-Trihydroxybenzoic acid
610-02-6
99.9%
3.878
170.0215
1.0 mM (0.017%)
2,4-Dihydroxybenzoic Acid
89-86-1
99.6%
8.347
154.0266
1.0 mM (0.015%)
3-Hydroxybenzoic acid
99-06-9
99.5%
9.539
138.0317
1.0 mM (0.014%)
Phenol
108-95-2
>99.9%
11.386
94.0419
1.0 mM (0.009%)
Coniferyl Alcohol
458-35-5
91.4%
15.094
180.0786
1.0 mM (0.018%)
m-Coumaric acid
14755-02-3
>99.9%
18.807
164.0473
1.0 mM (0.016%)
2-Acetylresorcinol
699-83-2
99.9%
22.398
152.0473
1.0 mM (0.015%)
4-Methylsyringol
6638-05-7
98.3%
24.091
168.0786
1.0 mM (0.017%)
3,4,5-Trimethoxycinnamic acid
90-50-6
99.7%
25.102
238.0841
1.0 mM (0.024%)
α-Methyl-cinnamic acid
1199-77-5
98.1%
28.765
162.0681
1.0 mM (0.016%)
trans-Pterostilbene
537-42-8
99.8%
34.862
256.1099
1.0 mM (0.026%)
tert-Butylhydroquinone
1948-33-0
97%
166.0994
0.5 mM
Methanol
67-56-1
32.0262
99.813%

ANALYSIS RESULTS

Analysis method
Instrument

Agilent HPLC 1290 Series

UV Detector: Agilent 1260 Infinity II Diode Array

ELSD Detector: 1260 Infinity II Evaporative Light Scattering Detector.

MSD: Agilent 6460C QQQ

Column

InfinityLab Poroshell 120 EC-C18, 2.1 x 150 mm, 1.9 µm, narrow bore LC column

Chromatography method
  A: 0.1% Formic acid in H2O
 B: 0.1% Formic acid in Acetonitrile  
Time (min) A (%) B (%) Flow (mL/min)
0 95 5 0.3
2 95 5 0.3
15 88 12 0.3
35 45 55 0.3
36 0 100 0.3
38 0 100 0.3
39 95 5 0.3
40 95 5 0.3
Chromatogram
Note

All signals in the above chromatogram are recorded at 220nM.

Note

A peak at 13.7 belongs to 0.5mM TBHQ (tert-butylhydroquinone, CAS# 1948-33-0) which is used as an internal standard. The TBHQ in all solutions comes from the same stock mix and is comparable ampule to ampule.

MS Spectra
To view the spectra

Please refer to the online version of the Certificate of Analysis by scanning the QR code on the product label. Click on the name of the corresponding compound in the Sec 3. Table of composition to view the compound specification.

STABILITY

Shelf life and storage
Shelf-life

A shelf life of at least 2 years has been established for this product. 

Your product expires no eariler than Feb 2025

Real-time Stability Test

No data is available at this moment. For the latest stability results, please visit our website (www.metasci.ca)

Additional Methods

MS2 Transitions for MS/MS
Instrument

Agilent QQQ 6460C - ESI

Column

InfinityLab Poroshell 120 EC-C18, 2.1 x 150 mm, 1.9 µm, narrow bore LC column

Analysis Method
 
  Name Polarity Exact Mass CAS# Fragmentor Precursor Ion Product Ion CE CAV Abundance
1 2,3,4-Trihydroxybenzoic acid Negative 170.0215 610-02-6 100 169 151 10 4 1517
1 2,3,4-Trihydroxybenzoic acid Positive 170.0215 610-02-6 72 171 115.3 10 4 91
2 2,4-Dihydroxybenzoic acid Negative 154.0266 89-86-1 98 153 109 10 4 1689
2 2,4-Dihydroxybenzoic acid Negative 154.0266 89-86-1 98 153 65.2 18 4 752
2 2,4-Dihydroxybenzoic acid Positive 154.0266 89-86-1 64 155 107 10 4 104
3 3-Hydroxybenzoic acid Negative 138.0317 99-06-9 94 137 93.1 10 4 2097
4 Phenol Positive 94.0419 108-95-2 72 117 85.1 10 4 14201
4 Phenol Positive 94.0419 108-95-2 72 117 77.9 10 4 62
5 Coniferyl Alcohol Positive 180.0786 458-35-5 54 181.1 85 10 4 35433
5 Coniferyl Alcohol Positive 180.0786 458-35-5 54 181.1 117 10 4 5438
5 Coniferyl Alcohol Positive 180.0786 458-35-5 54 181.1 100.3 18 4 65
6 m-Coumaric acid Negative 164.0473 14755-02-3 104 163 119.1 14 4 13602
6 m-Coumaric acid Negative 164.0473 14755-02-3 104 163 93.1 34 4 514
6 m-Coumaric acid Negative 164.0473 14755-02-3 104 163 114 58 4 52
7 2-Acetylresorcinol Negative 152.0473 699-83-2 110 151 91.1 22 4 3755
7 2-Acetylresorcinol Negative 152.0473 699-83-2 110 151 135.1 14 4 4741
7 2-Acetylresorcinol Negative 152.0473 699-83-2 110 151 109 18 4 4125
7 2-Acetylresorcinol Negative 152.0473 699-83-2 110 151 65.2 26 4 1248
8 4-Methylsyringol Negative 168.0786 1730647 50 167.1 114 22 4 56
8 4-Methylsyringol Positive 168.0786 1730647 82 169.1 77.1 34 4 7659
8 4-Methylsyringol Positive 168.0786 1730647 82 169.1 91.2 22 4 9244
8 4-Methylsyringol Positive 168.0786 1730647 82 169.1 137.1 10 4 19365
8 4-Methylsyringol Positive 168.0786 1730647 82 169.1 109.1 14 4 14548
9 3,4,5-Trimethoxycinnamic acid Negative 238.0841 90-50-6     116 237.1 103.1 10 4 6047
9 3,4,5-Trimethoxycinnamic acid Negative 238.0841 90-50-6 116 237.1 133.1 10 4 1675
10 α-Methyl-cinnamic acid Negative 162.0681 1199-77-5 82 161.1 117.2 6 4 568
10 α-Methyl-cinnamic acid Positive 162.0681 1199-77-5 110 163.1 85.1 10 4 7582
10 α-Methyl-cinnamic acid Positive 162.0681 1199-77-5 110 163.1 129.4 22 4 62
11 trans-Pterostilbene Negative 256.1099 537-42-8 144 255.1 240.2 18 4 10753
11 trans-Pterostilbene Negative 256.1099 537-42-8 144 255.1 197.1 30 4 4952
11 trans-Pterostilbene Negative 256.1099 537-42-8 144 255.1 239.2 22 4 5336
11 trans-Pterostilbene Negative 256.1099 537-42-8 144 255.1 169.1 42 4 2621
*CE: Collision energy **CAV: Capillary Accelerator Voltage
Notes

- Solvent system used (refer to the ANALYSIS RESULTS -> Chromatography method):

A: 0.1% Formic acid in H2O

B: 0.1% Formic acid in Acetonitrile

- Experimental: Adding 10-100mM ammonium formate to the solvent system may increase the ionization and the signal of the analytes

- Depending on the ion source and the instrument setup, alcohols generally yield lower signal and fragmentation. In such a case, higher injection volume may improve the signal. When the ionization is too week, the sodium adduct (M+Na) is more prominent.

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