ACCESSION: MSBNK-JEOL_Ltd-JEL00036
RECORD_TITLE: Irganox1010; 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$NAME: Irganox1010
CH$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$LINK: INCHIKEY BGYHLZZASRKEJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027633
CH$LINK: PUBCHEM CID:64819

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
//