MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008967
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008967
RECORD_TITLE: BENZYL ETHER; 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
CH$NAME: BENZYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14O
CH$EXACT_MASS: 198.10447
CH$SMILES: c(c2)ccc(c2)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
CH$LINK: INCHIKEY
MHDVGSVTJDSBDK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025819
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-a69586bedc358d6dc26c
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
65 2.6 26
77 5.1 51
78 1.1 11
79 1.66 17
80 1.1 11
90 1 10
91 47.3 473
92 99.99 999
93 7.6 76
105 1.3 13
107 15.5 155
108 0.13 1
120 1.2 12
//