MassBank Record: JP003091



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

ACCESSION: JP003091
RECORD_TITLE: DIOCTYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DIOCTYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O4 CH$EXACT_MASS: 370.30831 CH$SMILES: CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC CH$IUPAC: InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0adi-9400000000-b0ce84ba6259c7a9a71c PK$NUM_PEAK: 150 PK$PEAK: m/z int. rel.int. 15 0.9 9 16 0.4 4 17 0.1 1 19 0.01 0 25 0.1 1 26 0.8 8 27 11.9 119 28 0.85 9 29 24.6 246 30 0.8 8 31 1.6 16 32 0.08 1 36 0.1 1 37 0.3 3 38 0.4 4 39 0.71 7 40 1.8 18 41 41.1 411 42 10.4 104 43 4.36 44 44 2.7 27 45 1.4 14 46 0.1 1 48 0.01 0 49 0.1 1 50 0.4 4 51 0.6 6 52 0.04 0 53 2.8 28 54 3.1 31 55 56.3 563 56 0.21 2 57 74.8 748 58 3.7 37 59 3.8 38 60 0.08 1 61 1 10 62 0.4 4 63 0.5 5 65 0.05 1 66 0.3 3 67 2.8 28 68 3.3 33 69 1.17 12 70 46.5 465 71 38.2 382 72 2.7 27 73 0.23 2 74 0.5 5 75 0.2 2 76 0.4 4 77 0.05 1 78 0.4 4 79 0.7 7 80 0.4 4 81 0.14 1 82 3.2 32 83 20 200 84 13.3 133 85 0.26 3 86 0.5 5 87 6.9 69 88 0.4 4 89 0.01 0 91 0.1 1 93 0.2 2 96 2 20 97 0.23 2 98 0.9 9 99 1.1 11 100 6.1 61 101 0.98 10 102 2.9 29 103 0.4 4 104 0.5 5 105 0.03 0 107 0.1 1 108 0.1 1 109 0.2 2 110 0.07 1 111 9.4 94 112 33.1 331 113 1.6 16 114 0.17 2 115 0.3 3 116 0.1 1 121 0.1 1 122 0.01 0 123 0.1 1 124 0.1 1 125 0.2 2 126 0.04 0 127 1.2 12 128 5.1 51 129 99.99 999 130 0.72 7 131 1 10 132 0.1 1 139 0.1 1 140 0.01 0 141 0.1 1 142 2.5 25 143 0.8 8 144 0.02 0 145 0.3 3 146 2.6 26 147 13.7 137 148 0.01 0 149 2.6 26 150 0.2 2 154 0.2 2 155 0.02 0 156 0.1 1 157 0.9 9 158 0.2 2 160 0.01 0 161 0.1 1 167 0.2 2 169 0.1 1 172 0.02 0 173 0.1 1 183 0.2 2 185 0.3 3 186 0.01 0 199 1.4 14 200 0.2 2 201 0.1 1 205 0.01 0 211 0.2 2 212 2 20 213 0.3 3 214 0.06 1 215 0.1 1 223 0.2 2 225 0.3 3 228 0.01 0 241 10.9 109 242 1.7 17 243 0.2 2 258 0.07 1 259 5.4 54 260 0.8 8 261 0.1 1 272 0.02 0 279 0.2 2 284 0.2 2 313 0.4 4 327 0.01 0 341 0.2 2 370 0.1 1 //