MassBank Record: MSBNK-Waters-WA002544
ACCESSION: MSBNK-Waters-WA002544
RECORD_TITLE: Pilocarpine; 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$NAME: Pilocarpine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16N2O2
CH$EXACT_MASS: 208.12118
CH$SMILES: CCC(C(=O)2)C(CO2)Cc(c1)n(C)cn1
CH$IUPAC: InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
CH$LINK: CAS
92-13-7
CH$LINK: INCHIKEY
QCHFTSOMWOSFHM-WPRPVWTQSA-N
CH$LINK: COMPTOX
DTXSID1021162
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.180 min
AC$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: splash10-0ab9-0920000000-f0ac7e69bd79660ef665
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
105 59 59
107 141 141
108 20 20
109 341 341
110 27 27
112 24 24
113 16 16
121 615 615
122 407 407
123 110 110
132 24 24
133 121 121
134 121 121
135 188 188
136 98 98
137 16 16
138 12 12
139 27 27
146 12 12
147 82 82
148 82 82
149 47 47
151 78 78
152 12 12
161 35 35
162 16 16
163 556 556
164 51 51
165 16 16
181 31 31
182 16 16
191 35 35
209 999 999
210 106 106
//