MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005943
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
//