MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000021
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000021
RECORD_TITLE: 4-METHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
CH$LINK: INCHIKEY
IWDCLRJOBJJRNH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021869
AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0a4i-5900000000-1d2bdfde621a5af9be73
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
51 9.9 99
52 5.06 51
53 10.78 108
54 4.57 46
55 2.96 30
62 2.02 20
63 3.85 39
65 2.09 21
77 24.54 245
78 5.74 57
79 20.09 201
80 9.41 94
89 3.09 31
90 7.89 79
91 3.81 38
106 4.73 47
107 99.99 999
108 82.93 829
109 6.13 61
//