MassBank Record: MSBNK-EPA-ENTACT_AGILENT001632
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001632
RECORD_TITLE: N,N'-Dicyclohexylthiourea; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N,N'-Dicyclohexylthiourea
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24N2S
CH$EXACT_MASS: 240.1660195104
CH$SMILES: S=C(NC1CCCCC1)NC1CCCCC1
CH$IUPAC: InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
CH$LINK: CAS
1212-29-9
CH$LINK: INCHIKEY
KAJICSGLHKRDLN-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:727200
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 239.1587430587
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-001i-9010000000-dfe1ba3d991b21e02011
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
32.980444 99.999998 999
123.092772 1.477496 14
223.033543 1.841811 18
239.158743 18.540719 185
//
system version 2.2.8-SNAPSHOT