ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010876
RECORD_TITLE: ETHYL 2-HEXYLNONANOATE; 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$NAME: ETHYL 2-HEXYLNONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCC(CCCCCC)C(=O)OCC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-7-9-11-13-15-16(17(18)19-6-3)14-12-10-8-5-2/h16H,4-15H2,1-3H3
CH$LINK: INCHIKEY OOCDGNOKAHNFJG-UHFFFAOYSA-N

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$SPLASH: splash10-0596-9200000000-04bbb8a3a0b35614ccf2
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  27 12.7 127
  29 29.6 296
  31 2 20
  39 8.6 86
  41 56.6 566
  42 15 150
  43 63.1 631
  44 1.6 16
  45 1 10
  53 2.8 28
  54 2.9 29
  56 24.4 244
  57 99.99 999
  58 4 40
  59 1.5 15
  60 9.1 91
  61 5 50
  67 4.3 43
  68 3.4 34
  69 18.2 182
  70 98.9 989
  71 66.1 661
  72 3.8 38
  73 7.5 75
  74 3.1 31
  81 4.2 42
  83 28.2 282
  84 17.8 178
  85 2.1 21
  86 1.4 14
  87 5.1 51
  96 1.2 12
  97 4.1 41
  98 7 70
  99 2 20
  101 1.9 19
  111 2 20
  112 69.8 698
  113 13.1 131
  115 3.5 35
  123 1.4 14
  129 3.6 36
  139 1 10
  141 64.6 646
  142 7.1 71
  143 1.3 13
  157 1.8 18
  158 10 100
  159 19.4 194
  160 1.7 17
  184 1.1 11
//