ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003352
RECORD_TITLE: TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE; 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$NAME: TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₄O₆
CH$EXACT_MASS: 346.23554
CH$SMILES: CCC(C)CC(=O)OCCOCCOCCOC(=O)CC(C)CC
CH$IUPAC: InChI=1S/C18H34O6/c1-5-15(3)13-17(19)23-11-9-21-7-8-22-10-12-24-18(20)14-16(4)6-2/h15-16H,5-14H2,1-4H3
CH$LINK: INCHIKEY NGWFBGFXMJOQFK-UHFFFAOYSA-N

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$SPLASH: splash10-0006-9300000000-e0e85d2cea0dd8e4e7b9
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  43 95.3 953
  44 6.3 63
  45 23.5 235
  53 0.28 3
  54 17 170
  56 3.7 37
  57 3.7 37
  69 0.53 5
  70 9.5 95
  71 99.99 999
  72 5.3 53
  73 0.91 9
  86 4.8 48
  87 2 20
  88 3.6 36
  89 0.3 3
  98 7.8 78
  99 53.3 533
  100 3.8 38
  101 0.2 2
  113 8.8 88
  114 3.5 35
  115 3 30
  127 0.62 6
  142 19.8 198
  143 96.6 966
  144 9 90
  173 0.17 2
  186 1.6 16
//