MassBank Record: MSBNK-Waters-WA000642
ACCESSION: MSBNK-Waters-WA000642
RECORD_TITLE: Sufentanil; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Sufentanil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H30N2O2S
CH$EXACT_MASS: 386.20280
CH$SMILES: COCC(C2)(CCN(CCc(c3)scc3)C2)N(C(=O)CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
CH$LINK: CAS
56030-54-7
CH$LINK: INCHIKEY
GGCSSNBKKAUURC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023604
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.580 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0195000000-772b1e9871cb04671d8a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
108 8 8
111 71 71
128 8 8
132 16 16
140 121 121
141 8 8
150 16 16
152 16 16
206 51 51
212 8 8
214 8 8
224 12 12
238 999 999
239 133 133
240 51 51
260 8 8
289 16 16
355 274 274
356 59 59
357 20 20
387 294 294
388 63 63
389 20 20
//
system version 2.2.6-SNAPSHOT