MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007861
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007861
RECORD_TITLE: ETHYL 3-PYRIDYL KETONE; 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$NAME: ETHYL 3-PYRIDYL KETONE
CH$NAME: 1-(3-PYRIDYL)-1-PROPANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO
CH$EXACT_MASS: 135.06841
CH$SMILES: CCC(=O)c(c1)cncc1
CH$IUPAC: InChI=1S/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
CH$LINK: CAS
1570-48-5
CH$LINK: INCHIKEY
VDNKJMUNLKAGAM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90166184
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$SPLASH: splash10-0pdi-9600000000-6ba0665d857e33d5187e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 1.06 11
29 14.82 148
31 4.81 48
39 6.32 63
40 1.01 10
41 2.31 23
42 1.34 13
43 5.11 51
50 15.92 159
51 39.95 400
52 1.24 12
53 2.18 22
63 1.91 19
64 1.03 10
65 1.41 14
77 1.63 16
78 70.57 706
79 6.92 69
93 1.81 18
105 3.86 39
106 99.99 999
107 7.22 72
135 19.23 192
136 1.71 17
//