MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001826
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001826
RECORD_TITLE: ANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ANISOLE
CH$NAME: METHOXYBENZENE
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: INCHIKEY
RDOXTESZEPMUJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041608
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0ar0-9300000000-9d7f6749c18da0bb17a5
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 1.25 13
27 1.87 19
28 1.75 18
37 1.75 18
38 4.99 50
39 22.03 220
50 6.74 67
51 12.48 125
52 3.12 31
53 1.19 12
62 1.87 19
63 6.37 64
64 3.68 37
65 56.74 567
66 3.62 36
74 2.37 24
77 19.29 193
78 66.79 668
79 13.73 137
80 1.31 13
92 1.44 14
93 15.04 150
94 1.31 13
107 2.62 26
108 99.99 999
109 7.49 75
//