MassBank Record: MSBNK-Keio_Univ-KO002382
ACCESSION: MSBNK-Keio_Univ-KO002382
RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A203
CH$NAME: Deisopropylatrazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8ClN5
CH$EXACT_MASS: 173.04682
CH$SMILES: CCNc(n1)nc(Cl)nc(N)1
CH$IUPAC: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
CH$LINK: CAS
1007-28-9
CH$LINK: KEGG
C06556
CH$LINK: NIKKAJI
J1.756F
CH$LINK: PUBCHEM
SID:8785
CH$LINK: INCHIKEY
IVENSCMCQBJAKW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0037495
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-9000000000-cc24182cc8fc416b0126
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
43.100 267327.0 189
55.300 79208.0 56
62.000 465347.0 329
68.200 1410892.5 999
71.000 59406.0 42
76.900 54455.5 39
78.800 247525.0 175
90.800 44554.5 32
104.000 188119.0 133
128.000 19802.0 14
143.200 19802.0 14
//