MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003856
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003856
RECORD_TITLE: AZACYCLONOL; 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$NAME: AZACYCLONOL
CH$NAME: ALPHA,ALPHA-DIPHENYL-4-PIPERIDINEMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H21NO
CH$EXACT_MASS: 267.16231
CH$SMILES: N(C3)CCC(C3)C(O)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
CH$LINK: INCHIKEY
ZMISODWVFHHWNR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2045280
AC$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: splash10-053i-9600000000-759ea6880c668530ef20
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
50 0.9 9
51 5.9 59
52 1.9 19
53 0.39 4
54 3.9 39
55 18.9 189
56 18.9 189
57 0.79 8
58 2.9 29
59 0.9 9
75 0.9 9
76 0.29 3
77 22.9 229
78 3.9 39
79 1.9 19
80 0.29 3
81 1.9 19
82 5.9 59
83 5.9 59
84 7.49 75
85 99.99 999
86 6.9 69
87 0.4 4
90 0.04 0
91 5.9 59
92 1.9 19
105 0.9 9
106 0.19 2
107 43.9 439
108 4.9 49
109 0.9 9
115 0.29 3
116 0.9 9
117 0.9 9
126 0.9 9
127 0.19 2
128 3.9 39
129 3.9 39
179 0.4 4
180 0.09 1
181 1.9 19
182 2.4 24
183 70.9 709
184 1.19 12
185 2.4 24
189 2.4 24
190 4.9 49
191 0.24 2
192 0.9 9
247 0.9 9
248 3.9 39
249 0.19 2
250 0.4 4
266 0.9 9
267 5.9 59
268 0.9 9
//