ACCESSION: MSBNK-JEOL_Ltd-JEL00026
RECORD_TITLE: IRGANOX 1098; MALDI-TOFTOF; MS2; CE: 20kV; [M+Na]+
DATE: 2016.01.19 (Created 2012.06.18)
AUTHORS: JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: IRGANOX 1098
CH$NAME: 3,3'-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-N,N'-hexamethylenedipropionamide
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₄₀H₆₄N₂O₄
CH$EXACT_MASS: 636.48661
CH$SMILES: C(CCCCNC(CCc(c2)cc(C(C)(C)C)c(O)c(C(C)(C)C)2)=O)CNC(CCc(c1)cc(C(C)(C)C)c(O)c(C(C)(C)C)1)=O
CH$IUPAC: InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)
CH$LINK: INCHIKEY OKOBUGCCXMIKDM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044233
CH$LINK: PUBCHEM CID:90004

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 659.47583

PK$SPLASH: splash10-00di-9001001000-44ab3f2cd334ac9f0951
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  23.01906 10948519 999
  23.59974 19082 2
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  41.11822 81470 7
  43.14758 28008 3
  52.0668 46147 4
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  255.21339 16629 2
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//