ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006551
RECORD_TITLE: ISOBUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL LAURATE
CH$NAME: ISOBUTYL DODECANOATE
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9100000000-46f58c7d520ec63683b2
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 8.67 87
  29 24.66 247
  39 6.8 68
  41 45.64 456
  42 9.69 97
  43 41.11 411
  44 1.01 10
  53 1.69 17
  54 1.97 20
  55 24.94 249
  56 99.99 999
  57 93.23 932
  58 3.83 38
  60 21.61 216
  61 6.47 65
  67 3.3 33
  68 1.75 18
  69 10.02 100
  70 3.45 35
  71 12.27 123
  73 15.46 155
  74 1.65 17
  81 2.4 24
  82 1.11 11
  83 7.86 79
  84 5.03 50
  85 8.39 84
  87 4.2 42
  95 3.61 36
  96 1.03 10
  97 5.97 60
  98 5.57 56
  99 1.4 14
  101 3.48 35
  109 1.67 17
  111 1.73 17
  115 3.36 34
  116 6.7 67
  117 1.91 19
  129 7.11 71
  143 1.24 12
  157 4.59 46
  171 1.27 13
  183 36.98 370
  184 4.94 49
  200 13.19 132
  201 27.72 277
  202 3.37 34
//