MassBank Record: JEL00014



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

ACCESSION: JEL00014
RECORD_TITLE: C60; MALDI-TOFTOF; MS2; CE: Ar 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: splash10-00or-0980031000-01e4ecafcf96e6bc85a8 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 59.99945 1509 9 72.00340 3569 22 83.99945 18107 112 95.94856 13803 86 107.99945 14582 91 120.00758 65022 404 131.99945 98281 610 143.99069 37994 236 155.99945 25010 155 167.99599 113928 708 179.99945 160824 999 192.00838 57100 355 203.99945 34971 217 215.99484 97214 604 227.99945 116806 726 240.00532 64140 398 251.99945 35867 223 263.98737 66398 412 275.99945 67204 417 288.00896 43459 270 299.99945 28446 177 311.99617 18244 113 323.99945 11066 69 336.03587 6802 42 455.99945 2761 17 479.99945 13118 81 503.99945 18169 113 527.99945 61516 382 551.99945 41649 259 575.99945 43274 269 599.99945 63707 396 623.99945 22991 143 647.99945 16652 103 671.99945 31063 193 695.83411 38174 237 //