MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004033
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004033
RECORD_TITLE: PARA-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$NAME: PARA-ETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: CCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
CH$LINK: INCHIKEY
HXDOZKJGKXYMEW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021977
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$SPLASH: splash10-0a4i-4900000000-45f09ef08787a27c168f
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
26 2.9 29
27 9 90
28 2.1 21
29 0.29 3
37 2.4 24
38 2.8 28
39 12.5 125
40 0.28 3
41 2 20
43 1.5 15
50 4.1 41
51 0.78 8
52 3 30
53 5.9 59
55 1.9 19
61 0.17 2
62 2 20
63 4.2 42
64 1.3 13
65 0.44 4
66 1.5 15
74 1.2 12
75 1.1 11
77 1.71 17
78 4.2 42
79 2 20
89 1.3 13
91 0.42 4
93 1.9 19
94 1.8 18
103 2 20
107 99.99 999
108 8.9 89
121 4.8 48
122 28 280
123 2.2 22
//
system version 2.2.6-SNAPSHOT