Thionine(581-64-6) MS
Molecular FormulaC12H10ClN3S
Molecular Weight263.74
InChIInChI=1S/C12H10N3S.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6H,13-14H2;1H/q+1;/p-1
InChIKey ANRHNWWPFJCPAZ-UHFFFAOYSA-M
SmilesNC1C=CC2=NC3=CC=C(N)C=C3[S+]=C2C=1.[Cl-]
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MassMS-IW-3899 7-amino-3-imino-3H-phenothiazine hydrochloride C12H9N3S HCl (Mass of molecular ion: 227)
Source Temperature: 170 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.7 18.0 8.8 28.0 2.4 39.0 1.8 41.0 2.5 43.0 4.9 45.0 6.2 51.0 1.8 52.0 4.0 53.0 1.1 60.0 4.2 62.0 2.2 63.0 5.1 64.0 2.9 65.0 1.9 69.0 2.6 77.0 1.5 78.0 3.0 79.0 2.0 80.0 1.2 82.0 1.1 84.0 1.6 86.5 6.0 87.0 2.3 89.0 1.1 90.0 1.2 91.0 2.7 95.0 1.5 96.0 1.9 99.5 1.8 100.0 10.2 100.5 2.0 101.0 1.1 104.0 1.1 105.0 1.3 111.0 1.4 113.5 3.9 114.0 2.3 114.5 3.0 115.0 1.3 122.0 1.1 123.0 1.5 128.0 1.4 129.0 1.0 140.0 2.3 141.0 1.0 142.0 1.3 146.0 1.2 155.0 3.4 156.0 1.8 166.0 1.1 167.0 2.4 168.0 3.5 169.0 1.5 172.0 6.7 173.0 5.4 174.0 3.5 175.0 1.2 183.0 1.2 184.0 1.2 194.0 1.2 195.0 1.3 196.0 4.5 197.0 3.8 198.0 3.0 199.0 13.3 200.0 73.7 201.0 13.0 202.0 4.2 209.0 1.2 211.0 1.0 213.0 1.8 214.0 1.3 226.0 6.1 227.0 100.0 228.0 26.0 229.0 29.7 230.0 4.7 231.0 1.4
KBr disc
nujol mull
