MassBank Record: JP001723



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

ACCESSION: JP001723
RECORD_TITLE: UNDECANEDIOIC ACID DIMETHYL 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$NAME: UNDECANEDIOIC ACID DIMETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H24O4 CH$EXACT_MASS: 244.16746 CH$SMILES: COC(=O)CCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
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: splash10-006t-9500000000-0680c2a7d81baef3684f PK$NUM_PEAK: 90 PK$PEAK: m/z int. rel.int. 4 2.32 23 18 1.91 19 41 2.24 22 43 24.42 244 44 1.41 14 55 22.98 230 56 1.86 19 57 6.92 69 59 9.14 91 67 3.37 34 68 2.77 28 69 32.84 328 70 3.99 40 71 2.24 22 73 4.4 44 74 65.19 652 75 3.67 37 79 2.18 22 80 1.59 16 81 7.32 73 82 3.4 34 83 16.44 164 84 64.2 642 85 5.98 60 87 21.48 215 88 2.36 24 93 2.67 27 94 3.87 39 95 6.14 61 96 9.1 91 97 31.94 319 98 99.99 999 99 8.66 87 100 0.62 6 101 6.19 62 107 0.89 9 108 1.55 16 109 2.88 29 110 6.12 61 111 15.26 153 112 23.54 235 113 7.47 75 114 1.06 11 115 5.63 56 116 0.48 5 120 3.51 35 121 11.41 114 122 1.11 11 123 2.63 26 124 4.34 43 125 3.63 36 126 1.29 13 127 0.69 7 128 2.47 25 129 6.61 66 130 0.89 9 133 0.67 7 134 2.19 22 135 7.1 71 136 2.51 25 137 2.07 21 138 7.37 74 139 61.02 610 140 6.06 61 141 1.2 12 142 0.6 6 143 0.91 9 144 0.49 5 151 1.44 14 152 22.61 226 153 8.45 85 154 0.74 7 156 0.82 8 158 2.26 23 162 2.12 21 163 1.16 12 168 0.32 3 169 0.45 5 170 1.47 15 171 34.71 347 172 4.62 46 179 0.43 4 180 7.14 71 181 2.23 22 184 1.33 13 185 0.68 7 194 0.3 3 212 2.03 20 213 28.94 289 214 3.81 38 //