ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003381
RECORD_TITLE: BUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pi3-9300000000-c69c8d7d991a18669770
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  45 3.9 39
  53 2.9 29
  54 49.7 497
  55 84.8 848
  56 31.2 312
  58 9.1 91
  59 2.16 22
  60 14.1 141
  67 2.2 22
  68 2.2 22
  69 0.79 8
  70 2.1 21
  71 7.8 78
  73 21.4 214
  74 0.29 3
  81 2.4 24
  83 17.2 172
  84 7.1 71
  85 0.52 5
  87 19.6 196
  95 2.4 24
  97 3.5 35
  98 0.26 3
  100 12.5 125
  101 24.3 243
  102 4 40
  111 3.26 33
  112 4.5 45
  115 3.9 39
  116 8.6 86
  129 4.66 47
  130 3.5 35
  142 15.2 152
  143 3.9 39
  157 0.26 3
  171 53.8 538
  172 4.7 47
  183 10.2 102
  200 0.29 3
  201 20.4 204
  202 2.2 22
  231 3.2 32
  256 0.37 4
  257 2.2 22
//