MassBank Record: MSBNK-Waters-WA000111
ACCESSION: MSBNK-Waters-WA000111
RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:40 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 40 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: splash10-0a4i-9100000000-231057dab4b93850982c
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
55 71 71
57 999 999
58 176 176
68 12 12
69 82 82
71 321 321
73 192 192
74 16 16
78 24 24
80 39 39
83 20 20
85 67 67
87 35 35
95 8 8
98 392 392
100 27 27
102 43 43
111 12 12
116 63 63
130 98 98
140 8 8
164 8 8
177 8 8
179 16 16
180 8 8
191 27 27
192 20 20
203 20 20
205 35 35
206 20 20
208 43 43
220 8 8
225 8 8
249 118 118
250 12 12
//