ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010756
RECORD_TITLE: BENZYL 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$NAME: BENZYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: CCCCCCCCCCCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3
CH$LINK: INCHIKEY QNRYOQRUGRVBRL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059692

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$SPLASH: splash10-052f-9300000000-f8e0800257ea849fcdd2
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  27 7 70
  29 15 150
  39 7 70
  41 2.15 22
  42 6.1 61
  43 37.9 379
  50 2.7 27
  51 0.46 5
  52 1.3 13
  54 1.8 18
  55 15.4 154
  56 0.32 3
  57 22.9 229
  60 2.7 27
  65 8.4 84
  67 0.27 3
  69 11.2 112
  70 1.4 14
  71 11.2 112
  73 0.6 6
  74 6 60
  77 8.4 84
  78 1.3 13
  79 1.21 12
  81 3.7 37
  83 10.7 107
  84 2.7 27
  85 0.7 7
  87 4.1 41
  88 3.7 37
  89 3.7 37
  90 0.75 8
  91 99.99 999
  92 38.8 388
  93 2.3 23
  95 0.32 3
  97 8.4 84
  98 3.2 32
  101 2.7 27
  105 0.32 3
  106 1.3 13
  107 11.2 112
  108 85.5 855
  109 0.75 8
  111 3.2 32
  115 2.3 23
  125 2.3 23
  129 0.32 3
  139 1.8 18
  150 1.3 13
  157 1.3 13
  163 0.61 6
  180 1.8 18
  181 10.7 107
  183 8.4 84
  199 1.31 13
  200 2.7 27
  290 8.9 89
  291 3.3 33
//