MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010825
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010825
RECORD_TITLE: 4-METHOXYPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
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$LINK: INCHIKEY
NWVVVBRKAWDGAB-UHFFFAOYSA-N
CH$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$SPLASH: splash10-0ab9-3900000000-b406ffca43dc64f80356
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
42 2.12 21
50 2.59 26
51 3.48 35
52 4.22 42
53 12.6 126
54 4.42 44
55 3.04 30
61 1.21 12
62 2.78 28
63 3.65 37
64 1.53 15
65 4.65 47
66 1.03 10
80 1.4 14
81 32.62 326
82 2.32 23
93 1.86 19
95 1.75 18
108 1.72 17
109 99.99 999
110 6.68 67
123 2.42 24
124 99.95 1000
125 7.98 80
//