MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006581
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006581
RECORD_TITLE: ANISYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ANISYL ALCOHOL
CH$NAME: 4-METHOXYBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O2
CH$EXACT_MASS: 138.06808
CH$SMILES: OCc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
CH$LINK: INCHIKEY
MSHFRERJPWKJFX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6044357
AC$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: splash10-052r-7900000000-ce52521c68b1292fe73c
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
15 7.21 72
26 1.17 12
27 4.06 41
29 7.21 72
31 7.32 73
37 1.15 12
38 5 50
39 18.61 186
40 3.81 38
41 11.46 115
43 1.07 11
50 9.46 95
51 17.87 179
52 6.4 64
53 5.5 55
55 2.99 30
61 1.23 12
62 3.11 31
63 11.63 116
64 7.85 79
65 13.86 139
66 11.12 111
67 9.37 94
68 1.43 14
74 2.73 27
75 1.91 19
76 2.13 21
77 47.03 470
78 17.44 174
79 17.05 171
80 1.04 10
81 1 10
89 4.75 48
90 1.19 12
91 7.27 73
92 7.63 76
93 1.64 16
94 27.1 271
95 6.11 61
105 13.1 131
106 5.87 59
107 26.29 263
108 2.77 28
109 67.46 675
110 6.13 61
121 49.59 496
122 5.06 51
123 5.45 55
135 4.65 47
136 1.16 12
137 64.58 646
138 99.99 999
139 8.7 87
//