MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005209

HEPTYL ALCOHOL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005209
RECORD_TITLE: HEPTYL ALCOHOL; CI-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$NAME: HEPTYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCCCCCO
CH$IUPAC: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY BBMCTIGTTCKYKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021937

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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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0002-9200000000-b7cf5d50ed7cd0f902e2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  84 7.6 76
  96 4.62 46
  97 47.64 476
  98 20.38 204
  99 99.99 999
  100 25.54 255
  101 0.95 10
  114 4.22 42
  115 15.71 157
  116 1.37 14
  117 4.49 45
//