MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009453
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009453
RECORD_TITLE: ANETHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ANETHOL
CH$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$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-4900000000-2594f8795c2908bd5825
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
40 1.5 15
41 3 30
50 7 70
51 11.5 115
52 5.5 55
53 4 40
55 6 60
61 1.5 15
62 3 30
63 9.5 95
64 2.5 25
65 8.5 85
66 1.5 15
74 3.5 35
75 3.5 35
76 3.5 35
77 27 270
78 11 110
79 17 170
80 3 30
87 2.5 25
89 5.5 55
90 2.5 25
91 15.5 155
92 3.5 35
93 2.5 25
101 1.5 15
102 4.5 45
103 15.5 155
104 5.5 55
105 26.5 265
106 3.5 35
107 2.5 25
115 13 130
116 6.5 65
117 23 230
118 3.5 35
119 2.5 25
120 1.5 15
121 18.5 185
122 2.5 25
131 4 40
132 4 40
133 24.5 245
134 3.5 35
135 2.5 25
146 3.5 35
147 36.5 365
148 99.99 999
149 11 110
150 1.5 15
//