MassBank Record: JP003873



 CARISOPRODOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003873
RECORD_TITLE: CARISOPRODOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: CARISOPRODOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H24N2O4 CH$EXACT_MASS: 260.17361 CH$SMILES: CCCC(C)(COC(N)=O)COC(=O)NC(C)C CH$IUPAC: InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16) CH$LINK: INCHIKEY OFZCIYFFPZCNJE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024733
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9200000000-7ee2bc67a583d40d99b8 PK$NUM_PEAK: 111 PK$PEAK: m/z int. rel.int. 26 0.8 8 27 8.8 88 28 6.7 67 29 0.94 9 30 1.3 13 31 6.7 67 38 0.1 1 39 0.06 1 40 2 20 41 27.4 274 42 8.7 87 43 0.53 5 44 27.4 274 45 9.5 95 46 1.5 15 47 0.05 1 51 0.9 9 52 0.9 9 53 3.4 34 54 0.24 2 55 77.4 774 56 37.7 377 57 12 120 58 99.99 999 59 11.9 119 60 2.9 29 61 0.9 9 62 3.94 39 63 1.5 15 64 0.6 6 65 0.9 9 66 0.05 1 67 4.1 41 68 3.4 34 69 17.9 179 70 1.19 12 71 28.9 289 72 10.9 109 73 3.9 39 74 0.19 2 75 4.9 49 76 0.9 9 77 0.9 9 79 0.09 1 80 0.6 6 81 6.9 69 82 1.9 19 83 2.89 29 84 23.9 239 85 5.9 59 86 13.9 139 87 0.13 1 88 4.9 49 89 0.9 9 90 0.5 5 91 0.03 0 92 1.1 11 93 0.1 1 94 0.1 1 95 0.19 2 96 10.1 101 97 55.4 554 98 11.4 114 99 0.03 0 100 1.9 19 101 5.9 59 102 8.9 89 103 0.13 1 104 43.5 435 105 2.2 22 106 0.4 4 112 0.02 0 113 0.9 9 114 13.9 139 115 9.1 91 116 0.13 1 117 1.4 14 118 0.9 9 119 0.3 3 123 0.09 1 131 0.8 8 132 0.9 9 133 0.2 2 134 0.03 0 140 0.5 5 142 0.2 2 143 0.2 2 144 0.37 4 145 0.8 8 147 1.1 11 157 2 20 158 4.09 41 159 4.4 44 160 0.7 7 174 0.6 6 175 0.07 1 176 5.9 59 177 0.9 9 184 9.4 94 185 0.15 2 186 3.8 38 187 0.9 9 199 1.1 11 200 0.01 0 202 1.6 16 217 0.5 5 245 17.1 171 246 0.27 3 247 0.2 2 260 2.8 28 261 0.8 8 //

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