MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009214
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009214
RECORD_TITLE: O-ETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: O-ETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: CCc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
CH$LINK: INCHIKEY
IXQGCWUGDFDQMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022479
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-6900000000-2d03bf115a58b10d9402
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 1.3 13
27 4.63 46
29 1.29 13
38 1.6 16
39 11.56 116
40 1.38 14
41 1.61 16
50 2.98 30
51 8.63 86
52 3.36 34
53 4.2 42
55 1.37 14
60 1.13 11
62 1.45 15
63 3.57 36
64 1.22 12
65 4.13 41
66 1.31 13
75 1.2 12
77 25.51 255
78 5.2 52
79 11.94 119
91 5.79 58
93 1.12 11
94 1.78 18
103 3.83 38
104 1.18 12
105 1.13 11
107 99.99 999
108 6.34 63
121 2.61 26
122 41.81 418
123 3.07 31
//
system version 2.2.6-SNAPSHOT