ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008479
RECORD_TITLE: PENTYL DODECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL DODECANOATE
CH$NAME: AMYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY PQWBDPUBNMEITD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40201711

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$SPLASH: splash10-00dl-9110000000-2208ba8c96eba61bbbcc
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  14 3.08 31
  18 3.08 31
  27 12.2 122
  29 16.43 164
  31 4.89 49
  32 4.85 49
  39 7.41 74
  41 39.12 391
  42 25.06 251
  43 66.82 668
  44 4.67 47
  45 2.75 28
  53 3.48 35
  54 1.28 13
  55 36.41 364
  56 6.69 67
  57 24.49 245
  58 2.4 24
  59 1.01 10
  60 16.17 162
  61 15.51 155
  67 3.76 38
  68 2.96 30
  69 14.21 142
  70 99.99 999
  71 25.72 257
  72 1.23 12
  73 18.15 182
  74 3.01 30
  81 2.63 26
  82 2.08 21
  83 7.45 75
  84 5.32 53
  85 8.58 86
  87 4.93 49
  89 1.17 12
  95 3.21 32
  97 6.2 62
  98 4.7 47
  99 2.41 24
  101 2.08 21
  102 4.25 43
  109 2.65 27
  111 2.93 29
  112 1.15 12
  115 7 70
  129 6.05 61
  130 6.57 66
  131 1.76 18
  143 4.94 49
  157 4.57 46
  171 2.37 24
  183 20.68 207
  184 3.61 36
  199 1.21 12
  200 6.96 70
  201 42.46 425
  202 6.77 68
  270 3.87 39
//