MassBank Record: MSBNK-Waters-WA000110
ACCESSION: MSBNK-Waters-WA000110
RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Tridemorph
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H39NO
CH$EXACT_MASS: 297.30316
CH$SMILES: CCCCCCCCCCCCCN(C1)CC(C)OC(C)1
CH$IUPAC: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
CH$LINK: CAS
81412-43-3
CH$LINK: INCHIKEY
YTOPFCCWCSOHFV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3041376
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 298.38
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ac1-9320000000-a88bcf8ad2fc6abcd791
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
55 47 47
57 999 999
58 110 110
68 8 8
69 51 51
71 615 615
72 165 165
78 8 8
80 31 31
83 16 16
85 235 235
86 12 12
87 35 35
95 8 8
98 623 623
100 16 16
102 63 63
112 71 71
113 12 12
116 259 259
117 8 8
128 12 12
130 780 780
131 12 12
194 8 8
205 8 8
207 12 12
240 31 31
249 98 98
250 27 27
265 125 125
267 8 8
281 39 39
298 458 458
299 47 47
//