MassBank Record: JP001742



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

ACCESSION: JP001742
RECORD_TITLE: NONANEDIOIC 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$NAME: NONANEDIOIC ACID DIHEXYL ESTER CH$NAME: DIHEXYL AZELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H40O4 CH$EXACT_MASS: 356.29266 CH$SMILES: CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3
AC$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$SPLASH: splash10-0pk9-6930000000-548afc1e8376a593547e PK$NUM_PEAK: 142 PK$PEAK: m/z int. rel.int. 27 0.63 6 29 1.79 18 37 0.92 9 41 4.19 42 42 9.55 96 43 64.38 644 44 2.46 25 54 1.2 12 55 17 170 56 31.61 316 57 13.35 134 58 0.82 8 59 0.47 5 60 3.81 38 61 12.04 120 62 0.67 7 67 2.11 21 68 2.13 21 69 15.23 152 70 1.58 16 71 0.67 7 73 8.06 81 74 1.13 11 75 1.36 14 78 7.2 72 79 0.76 8 80 0.88 9 81 2.65 27 82 6.86 69 83 23.32 233 84 51.29 513 85 25.14 251 86 1.87 19 87 6.76 68 88 0.44 4 91 9.17 92 93 1.26 13 94 0.17 2 95 1.9 19 96 9.39 94 100 1.16 12 101 6.85 69 102 1.67 17 103 0.4 4 105 0.29 3 106 0.25 3 107 3.41 34 108 1.1 11 109 4.97 50 110 4.71 47 111 25.97 260 112 2.46 25 113 0.96 10 115 24.23 242 116 4.12 41 117 2.35 24 118 0.61 6 119 2.88 29 121 0.2 2 122 0.47 5 123 4.26 43 124 14.41 144 125 32.66 327 126 7.05 71 127 3.53 35 128 2.32 23 129 58.44 584 130 5.23 52 131 0.62 6 133 0.2 2 134 0.93 9 135 2.25 23 136 1.7 17 137 2.27 23 138 0.31 3 139 0.63 6 140 0.37 4 141 1.53 15 142 2.85 29 143 8.52 85 144 9.02 90 145 4.62 46 146 0.54 5 150 0.66 7 151 2.76 28 152 67.77 678 153 15.27 153 154 3.27 33 155 1.87 19 156 0.32 3 157 2.57 26 158 0.37 4 167 0.13 1 168 0.85 9 169 1.48 15 170 4.14 41 171 99.99 999 172 17.38 174 173 2.14 21 182 1.7 17 183 0.36 4 184 0.27 3 185 0.71 7 186 0.33 3 189 0.46 5 194 0.15 2 198 0.52 5 199 0.42 4 200 2.21 22 201 0.42 4 210 0.16 2 211 0.59 6 212 2.51 25 213 35.36 354 214 5.17 52 215 0.59 6 225 0.29 3 226 4.1 41 227 1.24 12 228 8.08 81 229 1.41 14 230 0.11 1 236 0.13 1 238 3.65 37 254 8.03 80 255 97.9 979 256 24.92 249 257 3.06 31 258 0.32 3 270 0.16 2 272 0.11 1 273 4.48 45 274 0.73 7 299 0.35 4 300 0.27 3 313 0.79 8 314 0.11 1 327 0.13 1 356 0.52 5 357 7.12 71 358 1.62 16 359 0.2 2 //