ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007011
RECORD_TITLE: BUTYL 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$NAME: BUTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY DOLFPCDDMUMIMR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80198671

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$SPLASH: splash10-0a4l-9200000000-6e2ef76ad18f0e4054ab
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  27 14.43 144
  29 30.6 306
  31 1.38 14
  39 8.81 88
  41 47.72 477
  42 8.81 88
  43 29.81 298
  45 1.53 15
  53 1.86 19
  54 1.68 17
  55 23.74 237
  56 99.99 999
  57 52.42 524
  58 2.18 22
  60 27.12 271
  61 11.74 117
  67 2.18 22
  68 1.84 18
  69 8.94 89
  70 2.28 23
  71 15.52 155
  72 1.03 10
  73 22.01 220
  74 2 20
  81 2.61 26
  83 3.53 35
  84 3.17 32
  87 4.12 41
  89 2.12 21
  96 1.43 14
  97 3.1 31
  98 2.24 22
  101 4.57 46
  103 1.67 17
  112 1.02 10
  115 5.94 59
  116 6.33 63
  117 1.5 15
  129 8.54 85
  141 37.65 377
  142 3.3 33
  158 3.48 35
  159 50.07 501
  160 4.47 45
//