MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007836
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007836
RECORD_TITLE: 1,1,3-TRIMETHYLINDAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 1,1,3-TRIMETHYLINDAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16
CH$EXACT_MASS: 160.12520
CH$SMILES: CC(C1)c(c2)c(ccc2)C(C)(C)1
CH$IUPAC: InChI=1S/C12H16/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h4-7,9H,8H2,1-3H3
CH$LINK: INCHIKEY
CPLBLNGVYBSVPU-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-1900000000-d915561ced4309e5ac04
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 1.01 10
39 2.41 24
41 2.01 20
51 2.71 27
57.5 0.81 8
64 3.31 33
65 3.01 30
77 3.34 33
78 1.01 10
91 9.22 92
103 2.26 23
115 7.35 74
117 10.62 106
128 7.88 79
129 6.72 67
144 2.51 25
145 99.99 999
146 11.92 119
160 18.73 187
161 2.34 23
//
system version 2.2.8-SNAPSHOT