MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010776

ISOPENTYL LAURATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010776
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

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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$LINK: INCHIKEY FVKRIDSRWFEQME-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3064221

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00di-9000000000-f62dffce0c8412570752
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  42 1.3 13
  43 7.4 74
  55 3.6 36
  57 0.28 3
  60 1.3 13
  61 1.3 13
  69 1.3 13
  70 99.99 999
  71 26.4 264
  72 1.3 13
  73 1.7 17
  115 0.19 2
  129 1.3 13
  130 2.1 21
  131 1.3 13
  143 0.15 2
  183 5.3 53
  200 2.8 28
  201 4.2 42
  270 2.1 21
//