Name: Synonyms: CAS: RI: Comments: Spectrum_id=_ Smiles=_ Contributor=_ Reference=_ Phase=_ Mode=_ Compound_class=_ Source=_ License=CC_BY-SA Num Peaks: The entries InChIKey, Formula, MW, and ExactMass are no longer needed because they are automatically computed from the structure. Remove the _ sign when adding text. Spaces are allowed in the individual text lines, except in the Comments: line. If space is needed, use _ as a character. Otherwise, the text Information will not be properly presented. Ideally, All comments and tags are on one line, with no line breaks, as shown in the example below: Name: Dehydrojasmone Synonyms: 4-Methylene-5-((Z)-2-penten-1-yl)-2-cyclopenten-1-one Synonyms: (Z)-4-Methylene-5-(pent-2-en-1-yl)cyclopent-2-en-1-one CAS: 2622964-68-3 InChIKey: PRLXPOSTWLLTTJ-PLNGDYQASA-N Formula: C11H14O MW: 162 ExactMass: 162.1045 RI: 1300 Comments: Floral scent of Araceae Spectrum_id=SC_9 Contributor=P.Stamm;_S.Schulz;_TU-Braunschweig Phase=DB5-MS Reference=https://doi.org/10.1021/acs.joc.1c00145 [In Citavi anzeigen] Smiles=O=C(C=C1)C(C/C=C\CC)C1=C Mode=EI-quadrupole;_Agilent_MSD Compound_class=jasmone_derivative Source=Scan_1137_SD467P.D License=CC_BY-SA Num Peaks: 90 37 3; 38 17; 39 176; 40 30; 41 198; 42 12; 43 7; 45 1; 49 2; 50 39; 51 113; 52 96; 53 93; 54 14; 55 136; 56 6; 57 5; 58 4; 61 3; 62 15; 63 53; 64 18; 65 125; 66 102; 67 71; 68 44; 69 75; 70 5; 72 1; 73 1; 74 8; 75 7; 76 8; 77 238; 78 99; 79 154; 80 35; 81 25; 82 10; 83 2; 86 1; 87 3; 88 1; 89 19; 90 8; 91 363; 92 86; 93 23; 94 999; 95 84; 96 6; 98 1; 101 1; 102 11; 103 72; 104 24; 105 255; 106 48; 107 113; 108 45; 109 4; 115 86; 116 16; 117 42; 118 12; 119 175; 120 65; 121 19; 122 2; 127 7; 128 20; 129 25; 130 4; 131 25; 132 20; 133 503; 134 98; 135 9; 141 1; 143 3; 144 7; 145 10; 146 4; 147 99; 148 11; 149 1; 161 16; 162 172; 163 22; 164 2;