Product NameVITAMIN H
CAS22879-79-4
Molecular FormulaC10H16N2O3S
Molecular Weight244.31
InChIInChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6?,7-,9?/s3
InChIKey YBJHBAHKTGYVGT-OGHHUDDSNA-N
SmilesO=C1NC2[C@H](CCCCC(=O)O)SCC2N1 |&1:4,r|

Mass
MS-NW-2038 Biotin C10H16N2O3S (Mass of molecular ion: 244)
Source Temperature: 220 °C Sample Temperature: 260 °C Direct, 75 eV
15.0 2.7
17.0 5.2
18.0 25.9
26.0 3.5
27.0 16.3
28.0 18.1
29.0 6.4
30.0 6.6
32.0 2.1
33.0 1.8
34.0 5.5
38.0 1.7
39.0 13.8
40.0 4.0
41.0 25.0
42.0 13.0
43.0 12.4
44.0 8.8
45.0 22.1
46.0 9.0
47.0 5.7
48.0 1.1
50.0 1.6
51.0 3.1
52.0 3.1
53.0 7.3
54.0 9.4
55.0 11.0
56.0 12.6
57.0 2.1
58.0 3.6
59.0 5.9
60.0 6.3
61.0 36.2
62.0 1.4
63.0 1.3
65.0 4.4
66.0 3.4
67.0 20.7
68.0 9.5
69.0 8.9
70.0 11.4
71.0 7.0
72.0 2.0
73.0 13.0
74.0 7.4
75.0 4.7
76.0 2.1
77.0 3.3
78.0 2.3
79.0 6.8
80.0 5.8
81.0 6.1
82.0 6.2
83.0 1.9
84.0 23.9
85.0 56.1
86.0 6.5
87.0 25.8
88.0 3.7
89.0 1.9
91.0 5.0
92.0 1.7
93.0 3.3
94.0 3.6
95.0 3.8
96.0 4.0
97.0 100.0
98.0 25.4
99.0 10.2
100.0 28.5
101.0 7.5
102.0 2.6
103.0 1.4
104.0 1.6
105.0 1.6
106.0 2.2
107.0 1.3
108.0 1.9
109.0 1.4
110.0 5.2
111.0 9.9
112.0 45.2
113.0 11.2
114.0 3.9
115.0 4.2
116.0 1.1
117.0 1.5
118.0 1.4
119.0 1.2
120.0 1.2
122.0 1.5
123.0 3.4
124.0 3.8
125.0 2.1
126.0 2.2
127.0 2.2
128.0 1.5
129.0 1.9
130.0 3.3
131.0 1.4
132.0 1.2
134.0 1.4
135.0 1.3
136.0 1.7
137.0 2.3
138.0 4.2
139.0 1.9
140.0 1.9
141.0 1.2
142.0 3.3
143.0 15.7
144.0 7.2
145.0 2.8
147.0 1.7
148.0 1.8
149.0 1.1
150.0 1.7
151.0 3.1
152.0 5.8
153.0 1.2
154.0 1.2
155.0 1.1
157.0 1.3
158.0 1.1
160.0 6.5
161.0 1.4
162.0 1.5
165.0 3.0
166.0 6.9
167.0 1.3
168.0 1.7
169.0 1.1
179.0 1.6
180.0 1.4
182.0 1.0
183.0 2.7
184.0 49.0
185.0 18.3
186.0 4.4
187.0 1.1
197.0 3.6
198.0 7.2
199.0 1.4
200.0 1.4
208.0 1.2
226.0 9.8
227.0 2.2
244.0 7.6
245.0 1.0
KBr disc

nujol mull

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