MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006738
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006738
RECORD_TITLE: N-(2,2,3,3,4,4-HEXADEUTERO-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$NAME: N-(2,2,3,3,4,4-HEXADEUTERO-4-PHENYLBUTYRYL)PIPERIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H19NO2
CH$EXACT_MASS: 245.14158
CH$SMILES: O=C(C2)N(CCC2)C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])c(c1)cccc1
CH$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/i6D2,9D2,11D2
CH$LINK: INCHIKEY
VWMYFCUYOIXABI-BAZNXXDDSA-N
AC$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: splash10-0fr6-3900000000-cc3d12c2c0fbe5387def
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
28 1.5 15
30 4 40
41 2 20
42 0.2 2
43 3 30
44 3 30
45 3 30
46 0.3 3
47 3 30
55 5.5 55
56 2.6 26
57 0.22 2
58 9 90
59 1.7 17
60 7 70
63 0.1 1
69 1 10
70 4.5 45
71 2.5 25
72 0.3 3
75 1 10
82 3 30
83 1 10
86 0.25 3
87 1.5 15
88 2.5 25
91 1.5 15
92 0.2 2
93 28 280
94 7 70
95 1.5 15
98 0.45 5
99 17 170
100 50 500
101 40 400
102 3.8 38
103 2.8 28
105 1 10
106 2.5 25
107 2.1 21
108 6 60
109 4 40
114 6 60
115 1.7 17
116 84 840
117 7 70
118 1 10
121 0.15 2
122 1.8 18
123 1.5 15
130 1 10
134 0.2 2
142 2 20
143 20 200
144 99.99 999
145 0.9 9
146 1 10
151 1.2 12
152 1.8 18
153 0.5 5
154 1 10
157 1 10
158 5 50
170 0.2 2
250 1 10
251 6 60
252 2 20
253 0.3 3
254 0.8 8
//