ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007009
RECORD_TITLE: PROPYL 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$NAME: PROPYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY HCMSDHYNNJTLRW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9064396

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$SPLASH: splash10-06r6-9300000000-fc5c25192961fe295d80
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  26 1.24 12
  27 33.05 331
  29 33.6 336
  30 1.14 11
  31 3.51 35
  39 15.97 160
  41 73.14 731
  42 32.79 328
  43 94.57 946
  44 2.48 25
  45 2.76 28
  53 2.65 27
  54 2.78 28
  55 39.44 394
  56 10.89 109
  57 44.68 447
  58 2.45 25
  59 7.59 76
  60 69.79 698
  61 99.99 999
  62 2.13 21
  67 4.05 41
  68 3.36 34
  69 17.89 179
  70 3.64 36
  72 1.61 16
  73 42.21 422
  74 4.08 41
  75 1.25 13
  81 4.35 44
  83 7.51 75
  84 7.06 71
  85 1.15 12
  87 12.96 130
  89 3.97 40
  95 1.22 12
  96 2.28 23
  97 6.9 69
  98 3.56 36
  101 3.57 36
  102 35.84 358
  103 6.74 67
  111 1.26 13
  112 1.73 17
  115 23.86 239
  116 1.53 15
  123 1.21 12
  129 9.9 99
  139 2.01 20
  141 68.25 683
  142 6.06 61
  143 1.01 10
  157 3.22 32
  158 4.31 43
  159 72.88 729
  160 6.87 69
  171 2.38 24
  200 1.67 17
//