ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010777
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-9230000000-a87e6b36aa49cfca35c3
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  42 4.7 47
  43 11.7 117
  55 4.3 43
  57 0.83 8
  60 10.4 104
  61 16.2 162
  69 3.2 32
  70 99.99 999
  71 19.6 196
  72 1.3 13
  73 11.9 119
  74 0.17 2
  83 2.5 25
  84 3.4 34
  85 4.5 45
  86 0.11 1
  87 3 30
  95 1.3 13
  97 2.5 25
  98 0.3 3
  99 1.1 11
  101 2.8 28
  102 3.2 32
  111 0.13 1
  112 1.1 11
  115 7 70
  129 5.1 51
  130 1.17 12
  131 4 40
  138 1.1 11
  143 5.1 51
  157 0.42 4
  171 1.7 17
  183 15.5 155
  184 2.3 23
  199 0.19 2
  200 9.4 94
  201 44.9 449
  202 6.8 68
  227 0.11 1
  270 7 70
  271 1.7 17
//