MassBank Record: JP001738



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

ACCESSION: JP001738
RECORD_TITLE: TRIDECANEDIOIC 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$NAME: TRIDECANEDIOIC ACID DIBUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H40O4 CH$EXACT_MASS: 356.29266 CH$SMILES: CCCCOC(=O)CCCCCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C21H40O4/c1-3-5-18-24-20(22)16-14-12-10-8-7-9-11-13-15-17-21(23)25-19-6-4-2/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: splash10-0901-9780000000-28f921cc42ce9f470298 PK$NUM_PEAK: 69 PK$PEAK: m/z int. rel.int. 40 7.37 74 43 16.07 161 56 52.29 523 57 22.43 224 60 7.12 71 61 4.4 44 69 9.26 93 71 4.73 47 73 7.11 71 81 2.92 29 83 11.62 116 84 22.94 229 85 4.04 40 87 2.32 23 95 2.04 20 96 4.26 43 97 14.14 141 98 72.68 727 99 6.98 70 101 6.92 69 109 1.97 20 110 3.03 30 111 14.63 146 112 25.69 257 113 2.42 24 115 7.27 73 116 3.41 34 123 1.76 18 124 2.26 23 125 5.63 56 126 2.55 26 129 16.85 169 134 1.45 15 135 9.98 100 137 2.94 29 138 2.91 29 139 1.72 17 141 0.81 8 142 1.02 10 143 2.94 29 149 8.09 81 150 1 10 151 1.84 18 152 7.04 70 153 32.74 327 154 3.39 34 157 2.64 26 158 1.72 17 166 6.93 69 167 8.96 90 168 7.51 75 172 5.55 56 185 11.37 114 186 2.46 25 194 8.04 80 195 5.5 55 207 0.16 2 212 2.9 29 213 75.22 752 214 12.63 126 215 0.97 10 226 2.3 23 227 38.82 388 228 6.77 68 242 6.1 61 268 1.21 12 269 99.99 999 270 17.43 174 271 1.79 18 //