MassBank Record: MSBNK-Osaka_Univ-OUF00138
ACCESSION: MSBNK-Osaka_Univ-OUF00138
RECORD_TITLE: Cinnamyl alcohol; GC-EI-TOF; MS; n TMS; RT:517.744 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: Cinnamyl alcohol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: OCC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
CH$LINK: CAS
104-54-1
CH$LINK: CHEBI
33227
CH$LINK: CHEMSPIDER
21105870
CH$LINK: INCHIKEY
OOCCDEMITAIZTP-QPJJXVBHSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1432.598
AC$CHROMATOGRAPHY: RETENTION_TIME 517.744 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014i-1910000000-f620d5e707e1170fdbb6
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
85 15 15
86 9 9
87 19 19
88 23 23
89 100 100
90 16 16
91 266 266
92 25 25
93 3 3
94 1 1
95 4 4
96 10 10
98 2 2
99 3 3
101 7 7
102 41 41
103 56 56
104 26 26
105 44 44
106 3 3
107 4 4
109 1 1
110 1 1
111 4 4
113 30 30
114 16 16
115 713 713
116 426 426
117 999 999
118 109 109
119 9 9
120 1 1
121 4 4
127 3 3
128 11 11
129 29 29
130 6 6
131 40 40
132 19 19
133 8 8
134 3 3
135 141 141
136 21 21
137 8 8
143 1 1
145 14 14
146 2 2
147 7 7
148 2 2
149 4 4
154 1 1
159 2 2
161 15 15
162 4 4
163 3 3
173 12 12
174 1 1
175 26 26
176 4 4
177 16 16
178 2 2
179 27 27
180 3 3
189 2 2
190 1 1
191 265 265
192 52 52
193 14 14
204 1 1
205 118 118
206 284 284
207 57 57
208 14 14
209 1 1
//
system version 2.2.8-SNAPSHOT