MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011097
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011097
RECORD_TITLE: (3,4-DIMETHOXYPHENYL)ACETONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (3,4-DIMETHOXYPHENYL)ACETONITRILE
CH$NAME: HOMOVERATRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11NO2
CH$EXACT_MASS: 177.07898
CH$SMILES: N#CCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
CH$LINK: CAS
93-17-4
CH$LINK: INCHIKEY
ASLSUMISAQDOOB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30239220
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$SPLASH: splash10-004i-4900000000-bb83e5e2e813f65acdd4
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
15 5.65 57
29 1.37 14
31 1.14 11
38 1.58 16
39 3.78 38
50 2.55 26
51 6.05 61
52 1.3 13
53 1.67 17
62 1.71 17
63 6.59 66
64 6.51 65
65 7.58 76
66 1.44 14
75 1.53 15
76 3.64 36
77 8.43 84
78 2.73 27
79 6.48 65
89 3.04 30
90 2.89 29
91 7.46 75
92 1.41 14
94 14.32 143
95 1.01 10
102 1.26 13
103 2.58 26
104 2.18 22
105 4.9 49
106 4.84 48
107 22.97 230
108 2.16 22
116 6.86 69
119 4.26 43
130 1.58 16
131 1.24 12
132 1.06 11
134 10 100
135 1.71 17
146 4.98 50
151 1.54 15
160 1.06 11
161 1.64 16
162 30.61 306
163 3.31 33
176 1.38 14
177 99.99 999
178 11.66 117
//
system version 2.2.8-SNAPSHOT