ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007014
RECORD_TITLE: ISOPENTYL NONANOATE; 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$NAME: ISOPENTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
CH$LINK: INCHIKEY SHGMLOSSRPFLKG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8064804

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$SPLASH: splash10-00dl-9100000000-eb57ad7d23fb9c3af2c8
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 6.11 61
  29 10.03 100
  39 3.56 36
  41 20.46 205
  42 8 80
  43 40.37 404
  45 1.08 11
  53 1.11 11
  54 1.16 12
  55 22.1 221
  56 2.89 29
  57 16.08 161
  60 4.03 40
  61 1.38 14
  67 1.25 13
  68 1.01 10
  69 4.16 42
  70 99.99 999
  71 37.8 378
  72 1.92 19
  73 3.67 37
  81 1.49 15
  83 1.22 12
  84 1.59 16
  87 1.51 15
  97 1.37 14
  98 1.25 13
  115 2.89 29
  129 1.6 16
  130 1.25 13
  141 23.21 232
  142 1.96 20
  158 2.36 24
  159 5.15 52
//