ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005943
RECORD_TITLE: 2-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$NAME: 2-PHENYLETHYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: NCCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5058773

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$SPLASH: splash10-0abc-5900000000-724c680a9564ac27f7ee
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  74 1.05 11
  75 1.91 19
  76 1.29 13
  77 10.4 104
  78 1.76 18
  79 2.13 21
  89 14.28 143
  90 3.54 35
  91 68.58 686
  92 21 210
  93 3.82 38
  102 2.08 21
  103 12.38 124
  104 3.29 33
  105 99.99 999
  106 9.37 94
  117 3.81 38
  118 5.94 59
  119 3.72 37
  120 29.48 295
  121 38.94 389
  122 22.83 228
  123 1.36 14
//