ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007719
RECORD_TITLE: OCTADECYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: OCTADECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₀O₂
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
CH$LINK: INCHIKEY OIZXRZCQJDXPFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4047759

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0006-9000000000-2228633c7be80e708eec
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  40 1.3 13
  41 37.7 377
  42 11 110
  43 99.99 999
  44 3.7 37
  53 1.4 14
  54 5 50
  55 3.42 34
  56 18.4 184
  57 31.3 313
  58 2.1 21
  61 2.6 26
  67 5.2 52
  68 7.6 76
  69 23 230
  70 1.31 13
  71 11.7 117
  73 2.3 23
  81 3 30
  82 1.03 10
  83 21.8 218
  84 7.7 77
  85 5.6 56
  95 0.13 1
  96 4 40
  97 16 160
  98 4.6 46
  99 0.12 1
  101 0.3 3
  109 0.5 5
  110 1.4 14
  111 0.76 8
  112 2.4 24
  113 0.6 6
  116 1 10
  124 0.08 1
  125 3.1 31
  126 1.3 13
  138 0.3 3
  139 0.11 1
  140 0.7 7
  152 0.3 3
  153 0.5 5
  154 0.04 0
  166 0.2 2
  167 0.3 3
  168 0.3 3
  182 0.02 0
  196 0.2 2
  224 0.4 4
  225 0.1 1
  252 0.03 0
  253 0.1 1
//