MassBank Record: JP001719



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

ACCESSION: JP001719
RECORD_TITLE: OCTANEDIOIC 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$NAME: OCTANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL SUBERATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18O4 CH$EXACT_MASS: 202.12051 CH$SMILES: COC(=O)CCCCCCC(=O)OC CH$IUPAC: InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
AC$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$SPLASH: splash10-010a-9600000000-f55e2019e8799a9421dd PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 4 0.25 3 40 1.17 12 41 1.86 19 43 16.41 164 55 37.63 376 59 24.87 249 68 12.33 123 69 74.73 747 70 6.46 65 73 5.45 55 74 95.55 956 82 13.46 135 83 35.14 351 84 11.53 115 85 3.74 37 87 38.95 390 88 2.34 23 96 3.71 37 97 84.55 846 98 6 60 101 8.45 85 110 17.95 180 111 24.66 247 113 3.14 31 114 8.86 89 115 3.32 33 127 1.71 17 128 5.08 51 129 99.99 999 130 7.43 74 138 70.64 706 139 17.24 172 141 0.9 9 142 10.78 108 143 3.93 39 170 3.11 31 171 39.77 398 172 4.26 43 //