MassBank Record: JP001722



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

ACCESSION: JP001722
RECORD_TITLE: NONANEDIOIC ACID DIMETHYL ESTER; CI-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$NAME: NONANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL AZELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H20O4 CH$EXACT_MASS: 216.13616 CH$SMILES: COC(=O)CCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-00kr-1940000000-f8843790d7de0c022d8e PK$NUM_PEAK: 82 PK$PEAK: m/z int. rel.int. 65 0.11 1 67 0.46 5 68 0.65 7 69 2.18 22 70 0.24 2 71 0.48 5 72 0.13 1 74 4.19 42 75 0.86 9 77 0.17 2 79 0.18 2 80 0.4 4 81 1.09 11 82 0.91 9 83 4.64 46 84 3.33 33 85 0.25 3 87 1.76 18 88 0.25 3 91 0.12 1 93 0.48 5 95 0.79 8 96 0.74 7 97 2.81 28 98 1.23 12 99 0.28 3 101 0.96 10 105 0.2 2 107 0.66 7 109 0.28 3 110 0.41 4 111 2.67 27 112 0.23 2 113 0.25 3 114 0.12 1 115 0.43 4 123 1.82 18 124 2.14 21 125 3.71 37 126 0.9 9 127 0.31 3 128 0.47 5 129 0.19 2 130 0.23 2 133 0.31 3 134 0.18 2 135 0.62 6 137 0.19 2 141 0.22 2 142 0.22 2 143 4.16 42 144 0.36 4 151 12.08 121 152 6.52 65 153 2.72 27 154 0.27 3 155 0.8 8 156 0.88 9 157 13.67 137 159 1.24 12 160 0.2 2 167 0.18 2 171 0.1 1 183 7.88 79 184 3.14 31 185 99.99 999 186 29.44 294 187 4.49 45 188 0.38 4 203 0.11 1 215 0.77 8 217 71.83 718 218 24.42 244 219 2.65 27 220 0.23 2 231 0.36 4 243 0.48 5 245 0.14 1 255 0.85 9 256 0.12 1 257 2.15 22 258 0.33 3 //