MassBank Record: JEL00013



 C60; MALDI-TOFTOF; MS2; CE: He 20kV; M+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JEL00013
RECORD_TITLE: C60; MALDI-TOFTOF; MS2; CE: He 20kV; M+
DATE: 2016.01.19 (2012.06.18)
AUTHORS: , JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: C60 CH$NAME: Buckminsterfullerene CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C60 CH$EXACT_MASS: 720.0 CH$SMILES: C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23 CH$IUPAC: InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59 CH$LINK: PUBCHEM CID:123591 CH$LINK: INCHIKEY XMWRBQBLMFGWIX-UHFFFAOYSA-N
AC$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 719.99945 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-006t-0000019000-37491cdd8db09dfa053a PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 132.13426 1262 1 168.10498 5849 7 180.10413 8976 10 192.1068 2936 3 204.13962 2600 3 216.14513 8708 10 228.13386 9105 10 240.22477 6314 7 264.20548 10368 12 276.18699 10350 12 288.28137 3565 4 300.17248 1294 1 312.30755 1702 2 324.20506 1991 2 336.12302 1007 1 432.32007 576 1 456.29279 3865 4 480.18111 6568 7 504.25702 21483 24 528.22188 73324 83 552.17292 85074 96 576.16265 127268 144 600.02091 320718 363 623.83051 312400 354 647.66499 387359 439 671.61233 690295 782 695.73725 882228 999 //