ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010778
RECORD_TITLE: ISOBUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3
CH$LINK: INCHIKEY SZFOMJOELAAHAF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70191252

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9110000000-9e7ff9f3a94ac3a28188
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  29 1 10
  41 1.7 17
  43 4.5 45
  55 0.14 1
  56 99.99 999
  57 57.2 572
  58 2.4 24
  60 1.52 15
  61 5.9 59
  69 1.7 17
  70 1.4 14
  71 0.61 6
  73 8 80
  74 1.2 12
  81 1 10
  83 0.28 3
  84 2.3 23
  85 5.1 51
  87 2.8 28
  95 0.21 2
  97 2.4 24
  98 3 30
  99 1.7 17
  101 0.26 3
  109 1.4 14
  111 1.2 12
  115 3 30
  116 0.96 10
  117 3.1 31
  129 5.9 59
  138 1 10
  140 0.1 1
  143 1.6 16
  157 3.7 37
  171 1.6 16
  183 2.86 29
  184 4 40
  200 15.2 152
  201 27.4 274
  202 0.37 4
  256 2.8 28
//