MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003859
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003859
RECORD_TITLE: PHENYRAMIDOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: PHENYRAMIDOL
CH$NAME: ALPHA-((2-PYRIDINYLAMINO)METHYL)BENZENEMETHANOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N2O
CH$EXACT_MASS: 214.11061
CH$SMILES: OC(CNc(c2)nccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)
CH$LINK: INCHIKEY
ZEAJXCPGHPJVNP-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-6900000000-d9b37fd7b9c02cab5313
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
50 3.9 39
51 12.9 129
52 7.4 74
53 0.29 3
54 0.9 9
55 1.9 19
56 1.9 19
57 0.39 4
58 0.9 9
64 0.4 4
65 2.4 24
66 0.19 2
67 4.9 49
69 0.4 4
70 0.9 9
71 0.19 2
72 3.9 39
73 1.4 14
74 0.9 9
75 0.09 1
76 1.9 19
77 11.4 114
78 42.9 429
79 1.89 19
80 11.9 119
90 0.9 9
91 3.9 39
92 0.09 1
93 2.4 24
94 5.9 59
95 1.9 19
96 0.04 0
97 0.9 9
102 0.9 9
103 1.9 19
104 0.29 3
105 9.9 99
106 10.4 104
107 99.99 999
108 5.29 53
109 5.9 59
110 0.9 9
118 0.4 4
119 0.89 9
120 1.9 19
121 0.9 9
149 9.4 94
150 0.14 1
151 0.4 4
166 0.9 9
167 2.4 24
168 0.29 3
169 0.9 9
170 0.4 4
193 0.9 9
194 0.39 4
195 9.4 94
196 10.4 104
197 1.9 19
198 0.09 1
213 0.9 9
214 3.9 39
215 0.9 9
216 0.4 4
//