MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010116
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010116
RECORD_TITLE: 6-CHLOROMETHYL-1,1,2,3,3-PENTAMETHYLINDAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 6-CHLOROMETHYL-1,1,2,3,3-PENTAMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H21Cl
CH$EXACT_MASS: 236.13318
CH$SMILES: ClCc(c2)cc(c(c2)1)C(C)(C)C(C)C(C)(C)1
CH$IUPAC: InChI=1S/C15H21Cl/c1-10-14(2,3)12-7-6-11(9-16)8-13(12)15(10,4)5/h6-8,10H,9H2,1-5H3
CH$LINK: INCHIKEY
WTNAJFTWCDMYBG-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:101588362
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-0490000000-c78592de38fab0d74f4d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
41 2 20
43 4 40
57 10 100
77 0.2 2
115 4 40
128 5 50
129 6 60
141 0.6 6
142 4 40
143 21 210
144 2 20
155 0.4 4
156 4 40
157 5 50
171 6 60
172 0.2 2
179 8 80
181 2 20
185 2 20
186 0.2 2
201 2 20
221 99.99 999
222 15 150
223 3.2 32
224 4 40
236 17 170
237 2 20
238 5 50
//
system version 2.2.6-SNAPSHOT