ACCESSION: MSBNK-Osaka_Univ-OUF00284
RECORD_TITLE: Isobutylamine; GC-EI-TOF; MS; n TMS; RT:313.743 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$NAME: Isobutylamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₁₁N
CH$EXACT_MASS: 73.08915
CH$SMILES: NCC(C)C
CH$IUPAC: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
CH$LINK: CAS 78-81-9
CH$LINK: CHEBI 15997
CH$LINK: CHEMSPIDER 6310
CH$LINK: KEGG C02787
CH$LINK: PUBCHEM CID:6558
CH$LINK: INCHIKEY KDSNLYIMUZNERS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025459

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$CHROMATOGRAPHY: RETENTION_INDEX 1090.313
AC$CHROMATOGRAPHY: RETENTION_TIME 313.743 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00g0-2900000000-1469790132a82520b69a
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  85 24 24
  86 714 714
  87 71 71
  88 30 30
  89 2 2
  96 1 1
  97 2 2
  98 4 4
  99 14 14
  100 341 341
  101 53 53
  102 53 53
  103 11 11
  104 3 3
  110 1 1
  112 8 8
  113 14 14
  114 40 40
  115 17 17
  116 39 39
  117 51 51
  118 10 10
  119 4 4
  126 6 6
  127 1 1
  128 399 399
  129 55 55
  130 109 109
  131 48 48
  132 14 14
  133 4 4
  142 11 11
  143 5 5
  144 26 26
  145 7 7
  146 11 11
  147 2 2
  148 1 1
  158 24 24
  159 9 9
  160 5 5
  172 15 15
  173 5 5
  174 999 999
  175 184 184
  176 82 82
  177 10 10
  178 2 2
  186 5 5
  200 5 5
  201 1 1
  202 148 148
  203 30 30
  204 13 13
  205 1 1
  216 3 3
  217 5 5
//