ACCESSION: MSBNK-Waters-WA000902
RECORD_TITLE: Alprazolam; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Alprazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₃ClN₄
CH$EXACT_MASS: 308.08287
CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c(C)2)c(nn2)CN1
CH$IUPAC: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
CH$LINK: CAS 28981-97-7
CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022577

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 15.150 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

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

PK$SPLASH: splash10-053r-0193000000-0bc67c6a08eddf96ee8b
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  103 12 12
  104 59 59
  118 16 16
  128 16 16
  129 39 39
  131 67 67
  138 90 90
  140 27 27
  142 8 8
  143 8 8
  144 8 8
  145 8 8
  152 8 8
  162 8 8
  163 8 8
  165 125 125
  166 8 8
  167 43 43
  168 8 8
  169 16 16
  170 12 12
  171 43 43
  172 67 67
  178 20 20
  190 12 12
  191 43 43
  192 12 12
  197 16 16
  198 24 24
  199 12 12
  203 16 16
  204 74 74
  205 439 439
  206 141 141
  207 8 8
  208 24 24
  216 51 51
  217 24 24
  218 24 24
  219 86 86
  220 16 16
  224 59 59
  226 59 59
  227 82 82
  228 16 16
  229 31 31
  231 16 16
  232 20 20
  233 39 39
  234 12 12
  238 12 12
  239 31 31
  240 71 71
  241 219 219
  242 43 43
  243 59 59
  244 8 8
  245 67 67
  246 31 31
  247 35 35
  251 102 102
  252 35 35
  253 63 63
  254 20 20
  255 78 78
  256 12 12
  257 31 31
  264 12 12
  265 8 8
  266 12 12
  267 8 8
  268 12 12
  273 12 12
  274 451 451
  275 74 74
  279 8 8
  280 20 20
  281 999 999
  282 157 157
  283 337 337
  284 51 51
  298 12 12
  308 12 12
  309 893 893
  310 149 149
  311 313 313
  312 55 55
  331 12 12
  347 24 24
  349 8 8
  350 8 8
//