ACCESSION: JP010902
RECORD_TITLE: HEPTYL 2-ETHYLBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCOC(=O)C(CC)CC
CH$IUPAC: InChI=1S/C13H26O2/c1-4-7-8-9-10-11-15-13(14)12(5-2)6-3/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY ZAQPYAQFZYEMDO-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05mp-9100000000-c0f05f7d1ddd25a4e4b4
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 16.5 165
  29 28.1 281
  31 1 10
  39 10.6 106
  41 44.2 442
  42 15.7 157
  43 79.1 791
  44 2.1 21
  45 1.6 16
  53 2.2 22
  54 2.5 25
  55 30.2 302
  56 31.8 318
  57 48.3 483
  58 1.7 17
  67 1.2 12
  68 2.7 27
  69 15.1 151
  70 26.8 268
  71 60.1 601
  72 2.7 27
  73 6 60
  83 2.7 27
  87 13.1 131
  88 25.1 251
  89 8.2 82
  97 1.1 11
  98 27.5 275
  99 36.4 364
  100 1.9 19
  101 2 20
  116 1.7 17
  117 99.99 999
  118 6.9 69
  143 1.8 18
  186 2.6 26
//