MassBank Record: JP003385



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

ACCESSION: JP003385
RECORD_TITLE: DIPROPYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIPROPYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O4 CH$EXACT_MASS: 230.15181 CH$SMILES: CCCOC(=O)CCCCC(=O)OCCC CH$IUPAC: InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dl-6910000000-e63725c42348febc53b3 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 43 67.6 676 53 2.2 22 54 21.5 215 55 5.2 52 56 3.4 34 58 6.9 69 59 4.7 47 60 0.76 8 73 4.9 49 83 9.6 96 84 4.4 44 87 1.2 12 100 8.8 88 101 15 150 102 2 20 111 2.49 25 112 3.6 36 129 36.9 369 130 2.5 25 142 1.88 19 143 2.5 25 170 3.1 31 171 99.99 999 172 0.88 9 189 2.2 22 231 30.1 301 232 2.5 25 //