MassBank Record: OUF00138

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Cinnamyl alcohol; GC-EI-TOF; MS; n TMS; RT:517.744 sec

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: 134.073160000000001446096575818955898284912109375
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
//