Creatine monohydrate(6020-87-7) MS
Product NameCreatine monohydrate
CAS6020-87-7
Molecular FormulaC4H11N3O3
Molecular Weight149.15
InChIInChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
InChIKey MEJYXFHCRXAUIL-UHFFFAOYSA-N
SmilesCN(CC(=O)O)C(=N)N.[H]O[H]
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MassMS-NW-0289 (1-methylguanidino)acetic acid C4H9N3O2 H2O (Mass of molecular ion: 131)
Source Temperature: 210 °C Sample Temperature: 0 °C Direct, 75 eV
14.0 2.1 15.0 11.0 17.0 5.3 18.0 25.0 27.0 3.7 28.0 14.1 29.0 1.7 30.0 13.7 39.0 2.3 40.0 4.9 41.0 13.7 42.0 100.0 43.0 86.9 44.0 32.8 45.0 1.2 53.0 2.1 54.0 1.2 55.0 5.8 56.0 5.1 57.0 3.4 58.0 3.3 60.0 1.2 67.0 1.6 68.0 1.3 69.0 10.8 70.0 2.7 71.0 2.2 72.0 4.4 73.0 1.2 81.0 1.3 82.0 1.0 83.0 1.9 84.0 31.7 85.0 6.4 86.0 1.4 87.0 1.7 95.0 1.0 97.0 1.2 98.0 2.8 111.0 1.1 112.0 49.8 113.0 98.5 114.0 5.9
KBr disc
nujol mull
4880 A,200 M,powder
