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MassBank Record: JP005946

1-PHENYLETHYLAMINE; CI-B; MS

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

ACCESSION: JP005946
RECORD_TITLE: 1-PHENYLETHYLAMINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-PHENYLETHYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: CC(N)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
CH$LINK: INCHIKEY RQEUFEKYXDPUSK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862301

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a4i-1900000000-f1e9aac2f4bed1fdabac
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  77 9.4 94
  78 2.9 29
  79 15.98 160
  80 1.13 11
  91 1.31 13
  103 2.57 26
  104 3.75 38
  105 22.1 221
  106 99.99 999
  107 8.66 87
  120 4.46 45
  121 0.9 9
//

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