ACCESSION: MSBNK-Osaka_Univ-OUF00395
RECORD_TITLE: n-Propylamine; GC-EI-TOF; MS; n TMS; RT:264.863 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$NAME: n-Propylamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₃H₉N
CH$EXACT_MASS: 59.07350
CH$SMILES: CCCN
CH$IUPAC: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
CH$LINK: CAS 107-10-8
CH$LINK: CHEBI 39870
CH$LINK: CHEMSPIDER 7564
CH$LINK: PUBCHEM CID:7852
CH$LINK: INCHIKEY WGYKZJWCGVVSQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021878

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$CHROMATOGRAPHY: RETENTION_INDEX 1017.466
AC$CHROMATOGRAPHY: RETENTION_TIME 264.863 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-022i-2900000000-c5bf9a3e8bb25d196316
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  85 29 29
  86 722 722
  87 84 84
  88 32 32
  89 4 4
  94 1 1
  95 1 1
  96 1 1
  97 2 2
  98 9 9
  99 18 18
  100 400 400
  101 63 63
  102 53 53
  103 13 13
  104 4 4
  110 1 1
  111 1 1
  112 12 12
  113 20 20
  114 776 776
  115 105 105
  116 77 77
  117 52 52
  118 10 10
  119 4 4
  126 1 1
  127 1 1
  128 19 19
  129 10 10
  130 141 141
  131 62 62
  132 18 18
  133 4 4
  134 1 1
  142 2 2
  143 2 2
  144 10 10
  145 3 3
  146 11 11
  147 2 2
  148 1 1
  156 1 1
  158 17 17
  159 4 4
  160 4 4
  170 2 2
  172 26 26
  173 6 6
  174 999 999
  175 193 193
  176 84 84
  177 10 10
  178 2 2
  186 11 11
  187 3 3
  188 215 215
  189 42 42
  190 18 18
  191 2 2
  201 1 1
  202 3 3
  203 20 20
  204 4 4
  205 1 1
//