MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003834
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003834
RECORD_TITLE: DARVON; 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$NAME: DARVON
CH$NAME: PROPOXYPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H29NO2
CH$EXACT_MASS: 339.21983
CH$SMILES: CCC(=O)OC(Cc(c2)cccc2)(c(c1)cccc1)C([H])(C)CN(C)C
CH$IUPAC: InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
CH$LINK: INCHIKEY
XLMALTXPSGQGBX-GCJKJVERSA-N
CH$LINK: COMPTOX
DTXSID1023524
AC$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-9000000000-9c987f1baf068ed1fd6e
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
26 0.1 1
27 0.6 6
28 1.5 15
29 0.44 4
30 1.3 13
35 0.2 2
36 0.1 1
39 0.03 0
41 0.4 4
42 1.9 19
43 0.7 7
44 0.09 1
45 0.3 3
47 0.6 6
48 0.3 3
49 0.43 4
50 0.1 1
51 1.5 15
55 0.2 2
56 0.04 0
57 4.9 49
58 99.99 999
59 4.6 46
65 0.05 1
70 0.2 2
71 0.5 5
73 0.1 1
74 0.02 0
77 1.4 14
78 0.1 1
85 0.4 4
88 0.02 0
89 0.1 1
91 3.1 31
92 0.2 2
102 0.01 0
103 0.1 1
105 1.6 16
106 0.1 1
115 0.11 1
116 0.2 2
117 0.9 9
128 0.2 2
129 0.04 0
130 0.7 7
131 0.1 1
132 0.1 1
133 0.01 0
134 0.2 2
143 0.1 1
165 0.1 1
174 0.01 0
178 0.3 3
179 0.3 3
193 0.5 5
197 0.02 0
208 1 10
209 0.1 1
250 0.3 3
265 0.09 1
266 0.4 4
//