MassBank Record: JEL00036



 Irganox1010; MALDI-TOFTOF; MS2; CE: 20kV; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JEL00036
RECORD_TITLE: Irganox1010; MALDI-TOFTOF; MS2; CE: 20kV; [M+Na]+
DATE: 2016.01.19 (2012.06.18)
AUTHORS: , JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: Irganox1010 CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C73H108O12 CH$EXACT_MASS: 1176.78408 CH$SMILES: C(Cc(c4)cc(C(C)(C)C)c(c4C(C)(C)C)O)C(=O)OCC(COC(CCc(c3)cc(C(C)(C)C)c(c3C(C)(C)C)O)=O)(COC(CCc(c2)cc(C(C)(C)C)c(c2C(C)(C)C)O)=O)COC(CCc(c1)cc(C(C)(C)C)c(c1C(C)(C)C)O)=O CH$IUPAC: InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3 CH$LINK: INCHIKEY BGYHLZZASRKEJE-UHFFFAOYSA-N
AC$INSTRUMENT: JMS-S3000 AC$INSTRUMENT_TYPE: MALDI-TOFTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_M/Z 1199.7733
PK$SPLASH: splash10-00e9-4530003029-2735fe56de49734e1cd5 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 22.99519 354407 698 203.1438 19752 39 219.23071 219550 432 301.24488 11115 22 369.26327 12085 24 413.23743 31935 63 575.43162 15352 30 631.41555 255403 503 661.34073 14805 29 689.31777 14495 29 719.36802 49823 98 895.35324 15265 30 899.49093 170285 335 921.46545 507587 999 937.46698 133148 262 1155.09433 78609 155 1169.29201 60470 119 1183.46186 233803 460 //