2,3-二羥基苯甲酸(303-38-8)質(zhì)譜(MS)
InChI:InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
InChIKey: GLDQAMYCGOIJDV-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=CC(O)=C1O
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Mass
MS-NW-0272
2,3-dihydroxybenzoic acid
C7H6O4 (Mass of molecular ion: 154)
Source Temperature: 190 °C
Sample Temperature: 0 °C
Direct, 75 eV
26.0 1.2
27.0 2.7
28.0 1.0
29.0 1.5
37.0 1.2
38.0 1.4
39.0 2.3
45.0 1.5
49.0 1.1
50.0 3.8
51.0 8.2
52.0 17.5
53.0 5.5
54.0 3.8
55.0 3.3
62.0 1.5
63.0 3.0
77.0 1.7
79.0 5.7
80.0 16.9
81.0 3.5
107.0 5.9
108.0 24.7
109.0 2.3
135.0 1.8
136.0 100.0
137.0 9.5
138.0 1.0
154.0 39.7
155.0 3.2
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C7 H6 O4
|
0.039 g : 0.5 ml DMSO-d6
|
| 2,3-dihydroxybenzoic acid
|
 |
Assign. Shift(ppm)
A 7.285
B 7.048
C 6.751
|
Hz ppm Int.
3735.84 9.348 26
2916.50 7.298 525
2914.79 7.294 563
2908.45 7.278 588
2906.98 7.274 580
2822.02 7.062 529
2820.31 7.057 541
2814.21 7.042 618
2812.50 7.038 581
2710.21 6.782 24
2705.81 6.771 552
2702.39 6.762 45
2697.75 6.751 1000
2693.12 6.739 38
2689.94 6.731 464
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| 1H NMR |
89.56 MHz |
| C7 H6 O4
|
0.044 g : 0.5 ml DMSO-d6
|
| 2,3-dihydroxybenzoic acid
|
|
Assign. Shift(ppm)
A 13. to 8.11
B 7.267
C 7.027
D 6.744
|
Hz ppm Int.
656.16 7.327 415
654.37 7.307 568
652.32 7.284 27
648.39 7.240 591
646.59 7.220 674
644.54 7.197 31
635.14 7.092 370
633.35 7.072 466
627.28 7.005 819
625.49 6.985 584
610.28 6.815 759
607.03 6.778 26
602.50 6.728 1000
594.64 6.640 346