MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004078
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004078
RECORD_TITLE: ALPHA-METHYL-3-PHENOXYBENZYLALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-METHYL-3-PHENOXYBENZYLALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14O2
CH$EXACT_MASS: 214.09938
CH$SMILES: CC(O)c(c2)cc(cc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C14H14O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-11,15H,1H3
CH$LINK: INCHIKEY
MYWBBBSIAHHXJK-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-01ox-9420000000-3fad2214685973a233c8
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
37 1 10
38 5.1 51
39 31 310
40 5.5 55
41 4.2 42
43 98 980
44 2.6 26
45 1.6 16
50 16 160
51 55 550
52 6.8 68
53 0.32 3
55 4.1 41
62 2.7 27
63 11 110
64 0.57 6
65 71 710
66 12 120
67 1.1 11
74 0.35 4
75 5.5 55
76 9 90
77 66 660
78 1.5 15
89 2.7 27
90 1 10
90.5 2.5 25
91 1 10
92 2.5 25
93 71 710
94 23 230
95 0.38 4
98 2.7 27
98.5 1.3 13
99 9 90
99.5 1.5 15
102 2.4 24
103 4.3 43
104 2.3 23
105 0.38 4
106 1.5 15
107 1.2 12
115 10.5 105
116 0.15 2
119 1.1 11
120 1.2 12
121 6.8 68
122 0.09 1
127 1.5 15
128 4.3 43
129 1.3 13
139 0.33 3
140 1 10
141 11 110
142 3 30
143 0.17 2
149 1.3 13
151 1.9 19
152 8.1 81
153 3.5 35
154 5.1 51
157 1.3 13
159 1 10
165 0.14 1
167 1.4 14
168 2.3 23
169 5.2 52
170 0.47 5
171 88 880
172 12 120
173 1 10
181 0.58 6
182 1 10
185 2.5 25
186 3.6 36
187 0.19 2
195 2.7 27
196 2.1 21
197 6 60
198 0.22 2
199 54 540
200 8.3 83
201 0.9 9
202 0.08 1
213 2.4 24
214 99.99 999
215 16 160
216 1.6 16
//