ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010759
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9110000000-b7596fdd8c457d218a04
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  27 7.2 72
  28 2.5 25
  29 23.8 238
  31 0.1 1
  39 4.4 44
  40 1.1 11
  41 37.9 379
  42 0.7 7
  43 32.4 324
  44 1.3 13
  45 1.1 11
  53 0.11 1
  54 1.9 19
  55 18.1 181
  56 99.99 999
  57 8.04 80
  58 3.4 34
  60 19.2 192
  61 7.2 72
  67 0.25 3
  68 1.7 17
  69 7.6 76
  70 5.1 51
  71 1.03 10
  72 1 10
  73 11.2 112
  74 1.9 19
  81 0.23 2
  82 1.1 11
  83 6.1 61
  84 3.6 36
  85 0.72 7
  86 1.1 11
  87 3.4 34
  95 3.2 32
  96 0.1 1
  97 4.6 46
  98 4.4 44
  99 1.7 17
  101 0.29 3
  109 1.7 17
  111 1.7 17
  112 1 10
  115 0.3 3
  116 8.4 84
  117 2.7 27
  125 1 10
  129 0.61 6
  143 1.7 17
  157 4.2 42
  183 29.9 299
  184 0.42 4
  200 13.7 137
  201 24.2 242
  202 3.2 32
  256 2.7 27
//