MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004694
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004694
RECORD_TITLE: METHOXYBENZENE; 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$NAME: METHOXYBENZENE
CH$NAME: ANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.05751
CH$SMILES: COc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: CAS
100-66-3
CH$LINK: INCHIKEY
RDOXTESZEPMUJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041608
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$SPLASH: splash10-0ar0-9500000000-a1231ee8ae74f750d865
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
50 6.2 62
51 12.81 128
52 3.59 36
53 1.13 11
62 1.85 19
63 5.83 58
64 3.45 35
65 51.32 513
66 3.22 32
74 1.95 20
75 1.17 12
76 1.29 13
77 16.92 169
78 56.95 570
79 11.72 117
80 1.04 10
92 1.45 15
93 15.31 153
94 1.4 14
107 2.51 25
108 99.99 999
109 7.89 79
//