MassBank Record: MSBNK-Waters-WA001172
ACCESSION: MSBNK-Waters-WA001172
RECORD_TITLE: Amprenavir; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Amprenavir
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H35N3O6S
CH$EXACT_MASS: 505.22466
CH$SMILES: CC(C)CN(CC(O)C(NC(=O)OC(C3)COC3)Cc(c2)cccc2)S(=O)(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
CH$LINK: CAS
161814-49-9
CH$LINK: INCHIKEY
YMARZQAQMVYCKC-OEMFJLHTSA-N
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 16.600 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0007190000-bee14f7d076fc5287f79
PK$ANNOTATION: m/z type
528 [M+Na]+
544 [M+K]+
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
115 39 39
124 94 94
157 12 12
208 12 12
225 24 24
245 43 43
295 51 51
349 529 529
350 55 55
351 595 595
352 82 82
353 8 8
365 16 16
383 12 12
392 8 8
418 282 282
419 63 63
420 12 12
506 999 999
507 208 208
508 63 63
509 8 8
520 12 12
523 27 27
528 31 31
529 8 8
544 121 121
545 24 24
546 20 20
579 86 86
580 24 24
581 8 8
//