MassBank Record: JP001735



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

ACCESSION: JP001735
RECORD_TITLE: NONANEDIOIC 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$NAME: NONANEDIOIC ACID DIBUTYL ESTER CH$NAME: DIBUTYL AZELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H32O4 CH$EXACT_MASS: 300.23006 CH$SMILES: CCCCOC(=O)CCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C17H32O4/c1-3-5-14-20-16(18)12-10-8-7-9-11-13-17(19)21-15-6-4-2/h3-15H2,1-2H3
AC$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$SPLASH: splash10-08fr-5940000000-cceeed0caa5e81038d75 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 29 3.15 32 41 5.93 59 42 1.2 12 43 2.09 21 55 4.54 45 56 37.36 374 57 17.87 179 60 6.69 67 61 3.07 31 68 3.42 34 69 9.16 92 70 0.65 7 71 0.72 7 73 7.7 77 82 2.33 23 83 12.25 123 84 3.25 33 85 0.69 7 87 3.88 39 96 0.58 6 97 19.86 199 98 2.02 20 99 0.48 5 100 0.77 8 101 3.46 35 102 0.49 5 109 0.41 4 110 6.04 60 111 15.74 157 112 2.93 29 113 0.84 8 114 1.04 10 115 44.57 446 116 6.05 61 117 0.39 4 128 2.82 28 129 11.54 115 130 3.29 33 131 0.54 5 137 1.11 11 138 28.24 282 139 18.68 187 140 2.98 30 141 0.67 7 142 0.44 4 143 0.83 8 149 0.82 8 155 0.55 6 156 3.47 35 157 48.16 482 158 4.99 50 159 0.4 4 170 1.56 16 171 21.62 216 172 2.31 23 184 1.85 19 185 0.6 6 186 4.32 43 187 0.22 2 212 1.71 17 213 99.99 999 214 13.81 138 215 1.46 15 231 0.71 7 //