MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009170
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009170
RECORD_TITLE: ANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
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$LINK: INCHIKEY
RDOXTESZEPMUJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041608
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0ar0-9300000000-03da541e1b0fc350901b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 5.32 53
26 1.33 13
27 2.78 28
29 1.97 20
37 3.09 31
38 8.61 86
39 33.61 336
40 1.17 12
49 1 10
50 10.77 108
51 19.2 192
52 4.08 41
53 1.47 15
61 1.21 12
62 3.5 35
63 10.91 109
64 5.12 51
65 67.41 674
66 4.21 42
74 3.56 36
75 1.52 15
76 1.3 13
77 17.54 175
78 56.46 565
79 13.9 139
80 1.27 13
92 1.54 15
93 13.86 139
107 1.82 18
108 99.99 999
109 7.79 78
//
system version 2.2.6-SNAPSHOT