ACCESSION: MSBNK-JEOL_Ltd-JEL00013
RECORD_TITLE: C60; MALDI-TOFTOF; MS2; CE: He 20kV; M+
DATE: 2016.01.19 (Created 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$LINK: INCHIKEY XMWRBQBLMFGWIX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4031772

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
//