MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004021
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004021
RECORD_TITLE: PARA-METHYLANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PARA-METHYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
CH$LINK: INCHIKEY
CHLICZRVGGXEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9026710
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00fr-9500000000-6cd98b3f34e125094a60
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
14 4.1 41
15 30.2 302
18 1 10
26 0.6 6
27 15 150
28 4 40
29 7 70
30 0.11 1
37 2 20
38 5.9 59
39 22.5 225
40 0.13 1
41 3.5 35
43 2 20
44 1.1 11
49 0.1 1
50 15 150
51 26.2 262
52 14.1 141
53 1.39 14
55 1.3 13
61 3.2 32
62 5 50
63 1.18 12
64 3.1 31
65 11.5 115
66 1.7 17
74 0.19 2
75 4.1 41
76 1 10
77 52.2 522
78 1.91 19
79 37.2 372
80 3 30
89 4 40
90 0.31 3
91 26.2 262
92 9 90
93 2.2 22
106 0.13 1
107 37 370
121 59.1 591
122 99.99 999
123 10 100
//
system version 2.2.6-SNAPSHOT