MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010538
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010538
RECORD_TITLE: 1,2,5-TRIMEHYLPYRROLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 1,2,5-TRIMEHYLPYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H11N
CH$EXACT_MASS: 109.08915
CH$SMILES: [H]c(c([H])1)c(C)n(C)c(C)1
CH$IUPAC: InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3
CH$LINK: CAS
930-87-0
CH$LINK: INCHIKEY
YRABRACUKBOTKB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20239239
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-4900000000-7284da94153af861ab23
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 3.69 37
27 3.99 40
28 2.39 24
40 4.66 47
41 1.1 11
42 4.36 44
43 4.53 45
51 2.24 22
52 4.11 41
53 3.15 32
54 3.89 39
55 1.91 19
56 4.52 45
65 3.12 31
66 2.08 21
67 3.61 36
77 1.85 19
78 1.13 11
79 2.01 20
92 3.03 30
93 3.4 34
94 19.15 192
95 1.44 14
106 3.46 35
107 5.67 57
108 99.99 999
109 65.93 659
110 5.1 51
//