ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010757
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
CH$LINK: COMPTOX DTXSID3064221
CH$LINK: INCHIKEY FVKRIDSRWFEQME-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61386

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$SPLASH: splash10-00di-9000000000-14f4e120c1f43ffbf557
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 3.7 37
  28 1.4 14
  29 8.4 84
  39 0.21 2
  41 13.3 133
  42 5.8 58
  43 36.6 366
  44 0.14 1
  54 1.2 12
  55 14.9 149
  56 2.6 26
  57 1 10
  60 2.8 28
  61 1.6 16
  67 1.2 12
  69 0.47 5
  70 99.99 999
  71 35 350
  72 1.6 16
  73 0.35 4
  83 2.1 21
  84 1.6 16
  85 2.8 28
  87 0.12 1
  95 1.4 14
  97 1.6 16
  98 1.4 14
  101 0.12 1
  115 1.9 19
  129 1.4 14
  130 1.4 14
  143 0.14 1
  157 1.2 12
  183 7 70
  200 2.8 28
  201 0.44 4
  270 1.9 19
//