ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007006
RECORD_TITLE: METHYL 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$NAME: METHYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY IJXHLVMUNBOGRR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061921

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$SPLASH: splash10-00di-9000000000-6b14d9620e385334bcce
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 3.58 36
  27 8.8 88
  29 11.05 111
  39 6.53 65
  41 21.62 216
  42 5.37 54
  43 21.57 216
  45 1.36 14
  53 1.53 15
  54 1.12 11
  55 16.39 164
  56 3.23 32
  57 7.89 79
  59 11.46 115
  67 1.16 12
  68 1.1 11
  69 6.88 69
  70 1.2 12
  71 3.03 30
  73 1.71 17
  74 99.99 999
  75 8.93 89
  83 2.3 23
  84 2.5 25
  87 44.69 447
  88 3.96 40
  97 1.49 15
  98 1.38 14
  101 3.69 37
  115 1.28 13
  129 7.35 74
  141 8.9 89
  143 5.73 57
  172 1.4 14
//