ACCESSION: MSBNK-Waters-WA002543
RECORD_TITLE: Pilocarpine; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-05fr-0910000000-bbb6e8fbefb6bb5cdf48
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  103 20 20
  104 20 20
  105 94 94
  106 67 67
  107 290 290
  108 137 137
  109 533 533
  110 59 59
  111 16 16
  112 20 20
  113 24 24
  118 24 24
  119 27 27
  120 39 39
  121 999 999
  122 407 407
  123 329 329
  124 27 27
  125 12 12
  129 16 16
  131 20 20
  132 12 12
  133 313 313
  134 149 149
  135 384 384
  136 98 98
  137 27 27
  139 43 43
  146 12 12
  147 184 184
  148 90 90
  149 114 114
  150 20 20
  151 102 102
  152 12 12
  161 43 43
  162 24 24
  163 333 333
  164 35 35
  165 16 16
  169 12 12
  175 12 12
  177 12 12
  179 20 20
  180 12 12
  181 24 24
  183 12 12
  186 12 12
  191 55 55
  193 16 16
  195 16 16
  198 16 16
  207 16 16
  208 12 12
  209 470 470
  210 51 51
  211 12 12
  217 12 12
  219 20 20
  221 16 16
  222 12 12
  225 16 16
//