MassBank Record: JP001736



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

ACCESSION: JP001736
RECORD_TITLE: UNDECANEDIOIC ACID DIBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: UNDECANEDIOIC ACID DIBUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H36O4 CH$EXACT_MASS: 328.26136 CH$SMILES: CCCCOC(=O)CCCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C19H36O4/c1-3-5-16-22-18(20)14-12-10-8-7-9-11-13-15-19(21)23-17-6-4-2/h3-17H2,1-2H3
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: splash10-0007-5930000000-05e92c924dde03b1cfe1 PK$NUM_PEAK: 107 PK$PEAK: m/z int. rel.int. 29 2.97 30 41 5.04 50 43 5.01 50 55 6.13 61 56 42.86 429 57 22.38 224 58 0.98 10 60 8.76 88 61 4.57 46 67 1.28 13 68 0.48 5 69 5.75 58 70 0.82 8 71 1.27 13 73 6.66 67 80 0.71 7 81 3.13 31 82 1.87 19 83 9.69 97 84 14.08 141 85 1.56 16 87 4.24 42 88 0.31 3 93 0.63 6 94 1.08 11 95 2.55 26 96 4.52 45 97 18.47 185 98 31.82 318 99 2.77 28 100 0.38 4 101 11.07 111 102 1.07 11 103 2.73 27 104 0.41 4 107 1.46 15 109 4.05 41 110 2.56 26 111 5.58 56 112 3.27 33 113 0.54 5 114 0.63 6 115 3.15 32 116 3.31 33 117 1.17 12 119 0.95 10 120 1.15 12 121 8.42 84 122 1.42 14 123 2.13 21 124 5.3 53 125 32.84 328 126 2.59 26 127 0.36 4 128 0.25 3 129 6.2 62 130 2.57 26 131 0.97 10 137 1.88 19 138 16.84 168 139 17.59 176 140 2.69 27 141 1.7 17 142 7.83 78 143 33.6 336 144 3.09 31 145 0.2 2 147 0.21 2 148 3.31 33 149 1.84 18 150 0.2 2 151 0.4 4 152 1.22 12 153 0.37 4 155 0.61 6 156 1.3 13 157 8.89 89 158 2.62 26 159 0.77 8 165 1.14 11 166 18.68 187 167 5.73 57 168 1.24 12 169 1.15 12 171 1.94 19 172 0.47 5 183 0.58 6 184 1.1 11 185 62.61 626 186 9.97 100 187 1.06 11 198 1.95 20 199 26.22 262 200 3.51 35 201 0.12 1 212 3.23 32 213 0.84 8 214 5.31 53 215 0.7 7 227 3.01 30 228 0.35 4 240 2.34 23 241 99.99 999 242 15.51 155 243 1.77 18 259 1.4 14 315 0.87 9 //