ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010758
RECORD_TITLE: PENTYL 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$NAME: PENTYL LAURATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9110000000-f4d172de1bd8c7dcffa2
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 6.9 69
  28 2.4 24
  29 18.6 186
  39 0.37 4
  41 29.2 292
  42 16.6 166
  43 66.5 665
  44 0.22 2
  45 1.1 11
  53 1.7 17
  54 2.2 22
  55 2.42 24
  56 5.2 52
  57 24 240
  58 1.3 13
  59 0.11 1
  60 16.2 162
  61 17.7 177
  67 2.6 26
  68 0.19 2
  69 11 110
  70 99.99 999
  71 26.6 266
  72 0.17 2
  73 17.3 173
  74 1.7 17
  81 1.9 19
  82 0.11 1
  83 6 60
  84 4.1 41
  85 6.9 69
  87 0.37 4
  89 1.1 11
  95 2.8 28
  96 1.1 11
  97 0.48 5
  98 4.1 41
  99 1.5 15
  101 3.2 32
  102 0.3 3
  103 1.3 13
  109 1.7 17
  111 2.2 22
  112 0.11 1
  115 6.3 63
  129 5 50
  130 9.3 93
  131 0.3 3
  138 1.1 11
  143 4.3 43
  157 3.9 39
  171 0.19 2
  183 17.7 177
  184 2.6 26
  199 1.7 17
  200 0.78 8
  201 41.7 417
  202 5.8 58
  270 5.8 58
  271 1.5 15
//