MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009172
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009172
RECORD_TITLE: ANETHOLE; 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$NAME: ANETHOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O
CH$EXACT_MASS: 148.08882
CH$SMILES: CC=Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
CH$LINK: INCHIKEY
RUVINXPYWBROJD-ONEGZZNKSA-N
CH$LINK: COMPTOX
DTXSID9020087
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$SPLASH: splash10-0002-4900000000-719d9077568af9d0f6a4
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
15 4.39 44
27 4.55 46
38 1.17 12
39 7.08 71
41 2.44 24
50 3.72 37
51 8.04 80
52 3.22 32
53 3.3 33
55 3.95 40
62 1.93 19
63 6.37 64
64 1.81 18
65 5.31 53
74 2.86 29
75 1.77 18
76 1.77 18
77 21.84 218
78 7.52 75
79 14.6 146
89 3.74 37
90 1.21 12
91 11.94 119
92 1.61 16
93 1.41 14
102 2.59 26
103 12.03 120
104 3.4 34
105 20.08 201
106 1.51 15
107 1.38 14
115 12.57 126
116 4.69 47
117 23.25 233
118 2.55 26
119 1.82 18
121 15.95 160
122 1.19 12
131 2.75 28
132 2.48 25
133 21.36 214
134 1.75 18
146 1.47 15
147 39.77 398
148 99.99 999
149 8.94 89
//