MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006217

PENTYL DECANOATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006217
RECORD_TITLE: PENTYL DECANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: PENTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY BGYFCELTJPRWBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00208064

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0006-0590000000-b159d4e6903d8e8e7787
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  84 1.51 15
  85 2.17 22
  87 1.19 12
  95 1.36 14
  115 2.15 22
  129 1.55 16
  130 2.14 21
  153 3.26 33
  155 15.68 157
  156 1.74 17
  171 5.34 53
  172 2.68 27
  173 43.45 435
  174 4.74 47
  213 2 20
  241 5.62 56
  242 2.51 25
  243 99.99 999
  244 16.77 168
  245 1.62 16
//