ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006548
RECORD_TITLE: PROPYL 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$NAME: PROPYL LAURATE
CH$NAME: PROPYL DODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY FTBUKOLPOATXGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30190286

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$SPLASH: splash10-01ox-9200000000-d732b1857af6737c86fc
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  27 21.86 219
  29 27.49 275
  31 2.24 22
  39 10.79 108
  41 65.05 651
  42 27.64 276
  43 96.12 961
  44 2.34 23
  45 2.19 22
  53 2.56 26
  54 2.93 29
  55 39.91 399
  56 11.21 112
  57 36.54 365
  58 2.02 20
  59 4.18 42
  60 54.48 545
  61 99.99 999
  62 2.09 21
  67 3.78 38
  68 2.62 26
  69 18.25 183
  70 4.19 42
  71 14.51 145
  72 1.04 10
  73 41.8 418
  74 3.6 36
  79 1.04 10
  81 3.27 33
  82 1.76 18
  83 12.69 127
  84 7.92 79
  85 9.85 99
  87 10.28 103
  89 1.05 11
  95 3.71 37
  96 1.56 16
  97 9.55 96
  98 7.13 71
  99 1.59 16
  101 3.86 39
  102 40.45 405
  103 8.21 82
  109 1.85 19
  111 2.66 27
  112 1.4 14
  115 23.68 237
  116 1.99 20
  125 1.2 12
  129 8.68 87
  138 1.01 10
  143 1.99 20
  157 7.29 73
  171 5.59 56
  183 33.58 336
  184 3.74 37
  199 2.9 29
  200 3.91 39
  201 35.4 354
  202 3.85 39
  242 3.89 39
//