ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006245
RECORD_TITLE: METHYL PELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL PELARGONATE
CH$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: CAS 1731-84-6
CH$LINK: INCHIKEY IJXHLVMUNBOGRR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061921

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00di-9100000000-854ee48fef9dd1f130ae
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  39 2.89 29
  40 0.85 9
  41 23.58 236
  42 5.2 52
  43 19.88 199
  44 0.8 8
  45 1.16 12
  53 1.01 10
  54 1.01 10
  55 15.63 156
  56 3.58 36
  57 9.1 91
  58 0.49 5
  59 9.11 91
  60 0.32 3
  61 0.21 2
  67 1.19 12
  68 1.03 10
  69 6.89 69
  70 1.4 14
  71 3.97 40
  72 0.29 3
  73 1.9 19
  74 99.99 999
  75 8.94 89
  76 0.67 7
  77 0.13 1
  79 0.27 3
  81 1.01 10
  82 0.23 2
  83 2.63 26
  84 2.98 30
  85 0.44 4
  87 43.19 432
  88 4.56 46
  89 0.34 3
  95 0.24 2
  96 0.47 5
  97 1.73 17
  98 1.71 17
  99 0.25 3
  100 0.15 2
  101 5.29 53
  102 0.39 4
  111 0.46 5
  112 0.78 8
  113 0.18 2
  115 1.78 18
  116 0.38 4
  122 0.13 1
  123 0.26 3
  125 0.14 1
  129 8.46 85
  130 0.8 8
  139 0.28 3
  140 0.15 2
  141 9.46 95
  142 0.95 10
  143 7.06 71
  144 0.69 7
  172 3.08 31
  173 1.06 11
  174 0.1 1
//