MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007806
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007806
RECORD_TITLE: 6-CYANO-1,2,3,4-TETRAHYDRONAPHTHALENE; 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$NAME: 6-CYANO-1,2,3,4-TETRAHYDRONAPHTHALENE
CH$NAME: 6-CYANOTETRALIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11N
CH$EXACT_MASS: 157.08915
CH$SMILES: N#Cc(c1)cc(C2)c(CCC2)c1
CH$IUPAC: InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4H2
CH$LINK: COMPTOX
DTXSID70342489
CH$LINK: INCHIKEY
TWDAXWPAXMGRAF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:582354
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$SPLASH: splash10-004i-2900000000-4494c0c87a46d6f88507
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
27 1.82 18
29 3.41 34
39 7.51 75
41 2.16 22
44 10.01 100
50 4.01 40
51 7.53 75
63 9.21 92
64 4.01 40
75 1.03 10
77 7.11 71
89 4.55 46
102 6.54 65
103 5.01 50
115 5.07 51
116 30.51 305
129 99.99 999
130 11.01 110
141 1.09 11
142 15.04 150
157 45.51 455
158 2.01 20
//
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