MassBank Record: JP003349



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

ACCESSION: JP003349
RECORD_TITLE: DIETHYLENE GLYCOL DIPELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYLENE GLYCOL DIPELARGONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O5 CH$EXACT_MASS: 386.30322 CH$SMILES: CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCC CH$IUPAC: InChI=1S/C22H42O5/c1-3-5-7-9-11-13-15-21(23)26-19-17-25-18-20-27-22(24)16-14-12-10-8-6-4-2/h3-20H2,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052s-9700000000-ac69dff8115c99a4e1a3 PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 45 32.7 327 53 3.2 32 54 36.7 367 55 14.9 149 56 81.2 812 57 6.5 65 58 3.2 32 59 2.06 21 60 5.1 51 67 7.4 74 68 5.9 59 69 1.64 16 70 13.9 139 71 35 350 72 2.2 22 73 1.83 18 74 3.4 34 75 2.4 24 79 2.4 24 81 0.84 8 82 2.2 22 83 7.8 78 84 20.1 201 85 0.91 9 86 35.2 352 87 22 220 88 12 120 89 0.3 3 95 2.8 28 96 2.8 28 97 5.9 59 98 2.27 23 99 37.5 375 100 5.3 53 101 3 30 103 0.21 2 111 2.2 22 112 7.6 76 113 22.4 224 114 0.22 2 115 4.5 45 123 2.2 22 127 7.2 72 130 0.26 3 138 6.7 67 139 2.2 22 140 6.5 65 141 4.59 46 142 9 90 143 31.4 314 144 2.8 28 148 0.22 2 149 5.5 55 155 10.1 101 156 13.2 132 157 3.4 34 158 6.3 63 159 2.8 28 170 4.5 45 171 1.09 11 172 2.4 24 183 2.4 24 184 42.1 421 185 99.99 999 186 13.9 139 187 2.1 21 190 4.5 45 198 0.22 2 199 2.2 22 215 2.4 24 216 2.1 21 219 0.21 2 228 2.2 22 247 5.7 57 288 5.1 51 289 0.13 1 326 1.3 13 387 1.5 15 //