MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004032
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004032
RECORD_TITLE: META-ETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: META-ETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: CCc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
CH$LINK: INCHIKEY
HMNKTRSOROOSPP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022480
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-2900000000-dcde0f5a92fee9ac5368
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
18 1.5 15
27 1.2 12
38 1.5 15
39 0.42 4
41 1.2 12
50 1.6 16
51 2.5 25
52 0.15 2
53 1.5 15
55 1.1 11
59 1.3 13
60 0.1 1
61 1.1 11
62 1.6 16
65 3 30
66 0.15 2
77 8 80
78 2 20
79 3.1 31
91 0.35 4
93 1.6 16
94 2.9 29
103 2 20
105 0.1 1
107 99.99 999
108 5.9 59
121 3.5 35
122 3.81 38
123 3.1 31
//