MassBank Record: MSBNK-Waters-WA002801
ACCESSION: MSBNK-Waters-WA002801
RECORD_TITLE: Crimidine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Crimidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10ClN3
CH$EXACT_MASS: 171.05633
CH$SMILES: CN(C)c(c1)nc(Cl)nc(C)1
CH$IUPAC: InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3
CH$LINK: CAS
535-89-7
CH$LINK: INCHIKEY
HJIUPFPIEBPYIE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0041800
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.300 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ab9-0900000000-d9bdcc3746b5da42ea17
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
107 999 999
108 137 137
109 925 925
110 63 63
113 8 8
119 266 266
120 71 71
121 129 129
122 12 12
128 12 12
129 16 16
130 8 8
131 8 8
133 16 16
134 16 16
136 533 533
137 35 35
153 102 102
154 357 357
155 27 27
172 756 756
173 55 55
174 231 231
175 12 12
177 67 67
178 8 8
//