MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006107
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006107
RECORD_TITLE: 1-OCTANOL; 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
CH$NAME: 1-OCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCCCCO
CH$IUPAC: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY
KBPLFHHGFOOTCA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021940
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
PK$SPLASH: splash10-00di-9100000000-6cd9a9930b3570fde113
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
67 1.78 18
68 3.87 39
69 29.98 300
70 15.92 159
72 99.99 999
82 2.64 26
83 10.69 107
84 12.11 121
111 5.82 58
112 1.78 18
113 19.06 191
114 1.46 15
129 2.11 21
//