ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010760
RECORD_TITLE: BUTYL 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$NAME: BUTYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY NDKYEUQMPZIGFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059336

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$SPLASH: splash10-0a4i-9110000000-fddb478401344cb3bb38
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  27 7.6 76
  28 2.2 22
  29 24.9 249
  39 0.44 4
  40 1.3 13
  41 33.3 333
  42 6.2 62
  43 3.02 30
  44 1.3 13
  53 1.3 13
  54 2.2 22
  55 1.91 19
  56 99.99 999
  57 41.8 418
  58 1.8 18
  60 2.09 21
  61 12.9 129
  67 2.7 27
  68 1.8 18
  69 0.8 8
  70 4.4 44
  71 10.2 102
  73 19.1 191
  74 0.22 2
  81 2.2 22
  83 6.2 62
  84 3.6 36
  85 0.58 6
  87 4 40
  89 1.3 13
  95 3.1 31
  96 0.13 1
  97 4.4 44
  98 4 40
  99 1.3 13
  101 0.62 6
  103 1.3 13
  109 1.8 18
  111 1.8 18
  112 0.13 1
  115 3.1 31
  116 12 120
  117 4 40
  129 0.93 9
  130 1.3 13
  139 1.3 13
  143 1.8 18
  157 0.4 4
  171 2.2 22
  183 18.2 182
  184 2.7 27
  185 0.18 2
  200 5.8 58
  201 31.6 316
  202 4 40
  213 0.13 1
  256 5.8 58
//