MassBank Record: JP001746



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

ACCESSION: JP001746
RECORD_TITLE: DECANEDIOIC ACID DIHEXYL 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$NAME: DECANEDIOIC ACID DIHEXYL ESTER CH$NAME: DIHEXYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O4 CH$EXACT_MASS: 370.30831 CH$SMILES: CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C22H42O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h3-20H2,1-2H3
AC$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$SPLASH: splash10-014u-6940000000-331754460fb46c172616 PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 42 7.73 77 43 39.57 396 56 23.27 233 57 7.15 72 61 8.71 87 67 1.51 15 69 10.13 101 70 2.54 25 71 1.71 17 73 4.52 45 81 3.11 31 82 4.98 50 83 8.71 87 84 37.66 377 85 15.83 158 87 2.96 30 95 1.94 19 96 3.24 32 97 12.28 123 98 30.79 308 99 1.97 20 101 6.9 69 109 1 10 110 1.94 19 111 6.04 60 112 3.75 38 115 5 50 121 4.98 50 123 0.86 9 124 5 50 125 24.01 240 126 4.28 43 127 4.33 43 128 1.33 13 129 9.79 98 130 2.46 25 131 0.86 9 137 1.24 12 138 13.59 136 139 14.81 148 140 1.62 16 141 0.41 4 142 1.26 13 143 33.35 334 144 5.04 50 145 0.83 8 148 2.44 24 149 3.3 33 152 2.66 27 153 0.65 7 157 9.09 91 158 3.27 33 159 1.18 12 165 0.51 5 166 18.65 187 167 5.65 57 168 0.52 5 169 0.56 6 171 5.15 52 185 99.99 999 186 11.64 116 187 0.78 8 213 2.72 27 214 2.58 26 226 1.08 11 227 24.17 242 228 3.93 39 240 3.64 36 241 4.1 41 242 5.56 56 255 4.72 47 256 0.58 6 268 1.75 18 269 82.31 823 270 15.2 152 271 1.52 15 287 3.06 31 //