MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006188
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006188
RECORD_TITLE: 2-PHENOXYETHANOL; 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$NAME: 2-PHENOXYETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O2
CH$EXACT_MASS: 138.06808
CH$SMILES: OCCOc(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
CH$LINK: INCHIKEY
QCDWFXQBSFUVSP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021976
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$SPLASH: splash10-000i-0900000000-9421e4830e44b3388570
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
107 2.76 28
119 1.92 19
121 10.46 105
138 30.99 310
139 99.99 999
140 10.37 104
141 1 10
//