BASIC BLUE 24(1934-16-3) MS
Product NameBASIC BLUE 24
CAS1934-16-3
Molecular FormulaC18H22ClN3S
Molecular Weight347.91
InChIInChI=1S/C18H22N3S.ClH/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;/h7-10,19-20H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKey NZYCYASKVWSANA-UHFFFAOYSA-M
SmilesC12C=C(C(C)=CC1=NC1C=C(C)C(NCC)=CC=1[S+]=2)NCC.[Cl-]
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MassMS-IW-4329 new methylene blue C18H22ClN3S (Mass of molecular ion: 347)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
17.0 1.3 18.0 7.0 26.0 1.9 27.0 5.4 28.0 15.9 34.0 1.0 35.0 1.4 36.0 18.5 38.0 6.1 39.0 1.0 41.0 1.0 44.0 1.7 65.0 1.0 77.0 1.5 91.0 1.5 93.0 1.2 97.5 1.1 98.0 1.1 103.0 1.2 104.0 1.7 105.0 1.5 106.0 1.3 107.0 1.6 111.5 2.2 112.0 2.4 112.5 1.5 113.0 1.0 114.0 1.4 119.0 1.7 120.0 2.3 120.5 3.0 121.0 7.1 121.5 1.3 126.5 1.0 127.0 1.3 127.5 3.1 128.0 3.3 128.5 11.6 129.0 2.4 133.5 1.0 134.0 1.3 134.5 2.6 135.0 5.7 135.5 1.2 139.5 1.1 141.5 2.4 142.0 1.1 142.5 2.9 149.0 1.2 156.5 1.0 167.0 1.4 168.0 1.1 180.0 1.4 181.0 1.5 182.0 2.4 183.0 1.1 192.0 1.0 194.0 1.3 195.0 3.6 196.0 3.4 197.0 2.4 198.0 1.0 206.0 1.0 207.0 2.0 208.0 2.6 209.0 4.6 210.0 4.0 211.0 2.5 212.0 1.2 213.0 1.0 214.0 1.2 215.0 1.2 222.0 3.4 223.0 8.8 224.0 25.1 225.0 12.6 226.0 3.1 227.0 3.3 228.0 2.0 229.0 1.5 235.0 1.3 236.0 1.2 237.0 1.1 239.0 2.2 240.0 2.3 241.0 4.8 242.0 11.9 243.0 3.0 244.0 1.1 246.0 3.0 247.0 2.3 251.0 1.7 252.0 1.6 253.0 1.5 254.0 1.6 255.0 4.4 256.0 35.6 257.0 100.0 258.0 18.6 259.0 6.2 260.0 1.5 267.0 1.1 268.0 1.7 269.0 1.8 270.0 4.5 271.0 2.6 274.0 2.5 275.0 1.4 277.0 1.2 278.0 1.7 279.0 8.9 280.0 2.1 281.0 1.2 282.0 2.0 283.0 6.9 284.0 9.5 285.0 39.5 286.0 8.3 287.0 2.6 293.0 1.1 296.0 1.1 297.0 1.8 298.0 1.1 299.0 1.1 306.0 1.1 307.0 7.0 308.0 1.7 309.0 1.1 311.0 3.7 312.0 2.2 313.0 12.5 314.0 2.8 335.0 1.1
KBr disc
nujol mull
