【求助】扑草净质量检测出峰甚奇怪！

应助达人

ACCESSION: NEM01095
RECORD_TITLE: Prometryn; gc-EI-MS; 70eV; Agilent
DATE: 2011.17.11

CH$NAME: Prometryn
CH$NAME: Prometryn
CH$NAME: 6-(methylsulfanyl)-2-N,4-N-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine
CH$FORMULA: C10H19N5S
CH$EXACT_MASS: 241.1361163
CH$SMILES: CSC1=NC(NC(C)C)=NC(NC(C)C)=N1
CH$IUPAC: InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
CH$LINK: CAS 7287-19-6

AC$INSTRUMENT: gc-MS, Agilent
AC$INSTRUMENT_TYPE: gc-EI-MS
AC$ANALYTICAL_CONDITION: Detector type: Quadrupole
AC$ANALYTICAL_CONDITION: MS_TYPE MS
AC$ANALYTICAL_CONDITION: IONIZATION EI
AC$ANALYTICAL_CONDITION: MODE POSITIVE
AC$ANALYTICAL_CONDITION: Scan range from [amu]: 45
AC$ANALYTICAL_CONDITION: Scan range to [amu]: 450
AC$ANALYTICAL_CONDITION: Scan frequency [scan/s]: 1.86
AC$ANALYTICAL_CONDITION: Injector: Programmable Temperature Vaporiser (PTV)
AC$ANALYTICAL_CONDITION: Injector temperature [%]: 100°C (0.7 min), 720°C/min do 300°C (5 min).
AC$ANALYTICAL_CONDITION: gc Column (stationary phase): DB-1MS
AC$ANALYTICAL_CONDITION: gc Column (Column length) [m]: 20
AC$ANALYTICAL_CONDITION: gc Column (Column I.D.): 0.1
AC$ANALYTICAL_CONDITION: gc Column (Film thickness) [µm]: 0.4
AC$ANALYTICAL_CONDITION: Carrier gas: Hydrogen
AC$ANALYTICAL_CONDITION: Flow rate [ml/min]: 0.6
AC$COMMENT: gc temperature programme: 60°C (2.6 min), 10°C/min do 300°C (5 min).
AC$COMMENT: Date of Analysis: 16 Jun 2003
AC$COMMENT: Method validation: within-laboratory validation (full method internal validation at research level)
AC$COMMENT: ISO 17025 accredited: no
AC$COMMENT: gc method accredited: no
AC$COMMENT: Interlaboratory evaluation: yes
AC$COMMENT: gc-MS data controlled: not applicable
AC$COMMENT: gc-MS data controlled by a competent authority?: No
AC$COMMENT: Internal standard compound: Propazine
AC$COMMENT: Internal standard concentration: 2
AC$COMMENT: Internal standard unit: ug/L
AC$COMMENT: Addition of internal standard: During sample preparation
AC$COMMENT: Sample preparation method: On-line SPE
AC$COMMENT: Sample preparation method (solvent/sorbent): PLRP-S/ACN

PK$COMMENT: Original Scan Number 2084
PK$COMMENT: Original Retention time [m] 15
PK$COMMENT: Indentification result: provisional identified
PK$COMMENT: EMPOMASS peaklist original (241 100) (184 )(105 ) (226 ) (68 ) (199 )
PK$COMMENT: Automatic deconvolution with AMDIS 2.69
PK$COMMENT: Scan Number (in ELUFILE): 2083
PK$COMMENT: Retention time [m] (in ELUFILE): 14.9938
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.

83 539 539
149 404 404
157 429 429
166 317 317
184 999 999
188 306 306
226 822 822
//