ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007007
RECORD_TITLE: ETHYL 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$NAME: ETHYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY BYEVBITUADOIGY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047651

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$SPLASH: splash10-000l-9100000000-ec6b2f11765bff0f80ab
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 1.01 10
  27 17 170
  29 34.67 347
  31 1.03 10
  39 7.94 79
  41 32.03 320
  42 9.05 91
  43 25.43 254
  45 10.1 101
  53 1.85 19
  54 1.55 16
  55 21.45 215
  56 5.79 58
  57 18.11 181
  59 1.26 13
  60 23.1 231
  61 18.73 187
  67 1.94 19
  68 1.63 16
  69 9.35 94
  70 15.3 153
  71 10.76 108
  73 21.72 217
  74 2.45 25
  81 1.82 18
  83 3.76 38
  84 4.41 44
  87 2.67 27
  88 99.99 999
  89 8.13 81
  97 2.55 26
  98 1.48 15
  101 37.72 377
  102 2.81 28
  112 1 10
  115 6.3 63
  129 1.89 19
  141 18 180
  142 1.5 15
  143 7.11 71
  157 5.98 60
  186 1.92 19
//