MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003862
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003862
RECORD_TITLE: METHYLPHENIDATE; 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$NAME: METHYLPHENIDATE
CH$NAME: METHYL ALPHA-PHENYL-ALPHA-(2-PIPERIDYL)ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H19NO2
CH$EXACT_MASS: 233.14158
CH$SMILES: COC(=O)C(C(C2)NCCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
CH$LINK: INCHIKEY
DUGOZIWVEXMGBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5023299
AC$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: splash10-001i-9100000000-c75de12fbdae54dce658
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
39 1.9 19
40 0.9 9
41 4.9 49
42 0.24 2
43 1.4 14
44 1.9 19
45 0.9 9
46 0.04 0
53 0.4 4
54 1.9 19
55 8.4 84
56 0.49 5
57 1.4 14
58 0.4 4
59 0.9 9
65 0.34 3
66 0.9 9
67 0.9 9
68 0.9 9
69 0.09 1
77 2.4 24
78 0.9 9
79 0.9 9
80 0.09 1
81 0.4 4
82 3.4 34
83 4.9 49
84 99.99 999
85 4.9 49
86 0.4 4
87 0.9 9
88 0.04 0
89 0.9 9
90 2.4 24
91 18.4 184
92 0.24 2
93 0.4 4
102 0.9 9
103 1.4 14
104 0.09 1
105 1.4 14
106 0.4 4
114 0.4 4
115 0.16 2
116 0.9 9
117 1.9 19
118 2.4 24
119 0.09 1
120 1.1 11
127 0.4 4
128 0.9 9
129 0.09 1
130 1.4 14
131 0.9 9
132 0.4 4
144 0.09 1
145 0.4 4
148 0.4 4
149 0.9 9
150 0.79 8
151 0.9 9
152 0.4 4
172 1.4 14
173 0.09 1
174 0.9 9
232 0.4 4
233 0.9 9
234 0.04 0
235 0.4 4
//