ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006820
RECORD_TITLE: 3-NONYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 3-NONYL ACETATE
CH$NAME: 1-ETHYLHEPTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCC(CC)OC(C)=O
CH$IUPAC: InChI=1S/C11H22O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h11H,4-9H2,1-3H3
CH$LINK: INCHIKEY GPBFEZPGSQXMPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50866830

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$SPLASH: splash10-0006-9000000000-c04ec70615a9a412b611
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.23 12
  27 6.19 62
  29 9.29 93
  39 3.2 32
  41 12.43 124
  42 4.89 49
  43 99.99 999
  44 3.29 33
  55 11.03 110
  56 6.25 63
  57 4.26 43
  58 3.33 33
  59 2.29 23
  61 1.4 14
  69 4.39 44
  70 6.33 63
  71 2.13 21
  73 1.27 13
  83 1.9 19
  84 2.86 29
  85 1.19 12
  97 11.25 113
  98 1.65 17
  101 13.54 135
  126 5.16 52
//