ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010847
RECORD_TITLE: BUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9210000000-0efb09ae5eb5ef195326
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  29 1.2 12
  41 2.1 21
  43 5 50
  55 0.25 3
  56 99.99 999
  57 22.4 224
  58 1.2 12
  60 1.54 15
  61 12.9 129
  69 2.1 21
  70 7.5 75
  71 0.75 8
  73 13.3 133
  74 2.1 21
  81 1.2 12
  83 0.29 3
  85 4.6 46
  87 3.3 33
  95 1.7 17
  97 0.29 3
  98 2.9 29
  99 1.2 12
  101 6.6 66
  109 0.12 1
  111 1.2 12
  115 3.7 37
  116 14.9 149
  117 0.5 5
  129 11.2 112
  130 1.2 12
  131 1.2 12
  143 0.25 3
  157 4.6 46
  171 2.5 25
  181 1.2 12
  183 1.74 17
  184 2.5 25
  185 2.5 25
  200 7.1 71
  201 3.69 37
  202 5 50
  213 1.2 12
  256 6.6 66
  257 1.7 17
//