MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004670
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004670
RECORD_TITLE: P-METHOXYPHENOL; 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$NAME: P-METHOXYPHENOL
CH$NAME: 4-METHOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: COc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
CH$LINK: CAS
150-76-5
CH$LINK: INCHIKEY
NWVVVBRKAWDGAB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020828
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0ab9-3900000000-b24cf2309ebe14f7ea37
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
44 4.27 43
50 2.28 23
51 3.33 33
52 4.95 50
53 14.56 146
54 5.64 56
55 1.46 15
62 2.36 24
63 2.83 28
64 1.42 14
65 4.6 46
80 1.83 18
81 31.45 315
82 3.35 34
93 1.85 19
95 2.06 21
108 5.64 56
109 99.99 999
110 6.95 70
123 3.33 33
124 95.6 956
125 6.71 67
//