ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009116
RECORD_TITLE: NONYL 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$NAME: NONYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCOC(=O)CCCCCCCC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-17-20-18(19)16-14-12-10-8-6-4-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY WWDHABCVIVMHKP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID601007487

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$SPLASH: splash10-0a4l-9200000000-80ec55ae694288e7119a
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  27 12.03 120
  29 29.73 297
  31 1.33 13
  39 6.7 67
  41 69.01 690
  42 23.74 237
  43 99.99 999
  44 1.75 18
  45 1.87 19
  53 3.1 31
  54 5.25 53
  55 60.21 602
  56 46.11 461
  57 73.72 737
  58 3.19 32
  59 1.58 16
  60 10.49 105
  61 27.24 272
  67 5.97 60
  68 10.51 105
  69 37.66 377
  70 41.3 413
  71 49.33 493
  72 2.3 23
  73 17.19 172
  74 1.5 15
  79 1.16 12
  81 4.85 49
  82 13.28 133
  83 32.56 326
  84 33.69 337
  85 16.95 170
  86 1.24 12
  87 4.48 45
  89 2.99 30
  95 1.53 15
  96 6.24 62
  97 35.09 351
  98 32.59 326
  99 2.67 27
  101 3.09 31
  103 1.9 19
  111 2.94 29
  112 3.11 31
  115 6.59 66
  116 2.93 29
  123 1.25 13
  126 54.81 548
  127 6.21 62
  129 5.56 56
  139 1.26 13
  140 1.61 16
  141 34.68 347
  142 2.95 30
  145 3.38 34
  158 8.33 83
  159 87.98 880
  160 7.26 73
  171 2.29 23
  173 1.39 14
  199 1.13 11
  284 1.36 14
//