MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006733
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006733
RECORD_TITLE: N-(4,4-DIDEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: N-(4,4-DIDEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H19NO2
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)CCC([2H])([2H])c(c1)cccc1
CH$IUPAC: InChI=1S/C15H19NO2/c17-14-10-4-5-12-16(14)15(18)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/i9D2
CH$LINK: INCHIKEY
VWMYFCUYOIXABI-KNXIQCGSSA-N
AC$INSTRUMENT: HITACHI RMU-6G
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0gvo-4900000000-197b0bf29dcb9582896f
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
41 7 70
42 5.5 55
43 19 190
44 3.5 35
45 3 30
55 13 130
56 4.5 45
57 8 80
58 9 90
61 2 20
69 4 40
70 7 70
71 13 130
72 2.5 25
76 2.5 25
81 2.5 25
82 4 40
83 4.5 45
84 3 30
85 6.5 65
86 2 20
91 11 110
92 7 70
93 19 190
94 3 30
95 2 20
96 2 20
97 4.5 45
98 8 80
99 36 360
100 67 670
101 28 280
102 2.5 25
104 5 50
105 30 300
106 11 110
107 6 60
109 2 20
111 3 30
112 6 60
113 9 90
114 72 720
115 7 70
118 2.5 25
119 4 40
125 2 20
126 2 20
131 2 20
139 6 60
141 12 120
142 99.99 999
143 10 100
147 3 30
148 3 30
149 6 60
154 9 90
155 4.5 45
165 1 10
166 5 50
167 1 10
247 7 70
248 2 20
249 0.7 7
//
system version 2.2.6-SNAPSHOT