MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004031
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004031
RECORD_TITLE: ORTHO-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$NAME: ORTHO-ETHYLPHENOL
CH$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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a4i-3900000000-7fa4bcd5f96dd273eea0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
18 1.8 18
27 2 20
38 1.6 16
39 0.53 5
41 1.4 14
43 1.4 14
45 1.5 15
50 0.1 1
51 4.2 42
52 1.5 15
53 2.1 21
60 0.15 2
61 1.5 15
62 1.3 13
63 2 20
65 0.22 2
77 18.1 181
78 2.8 28
79 8.1 81
91 0.36 4
94 1.8 18
103 4.1 41
104 1.5 15
105 0.13 1
107 99.99 999
108 7.4 74
120 3 30
121 3.86 39
122 3.1 31
//