MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008703
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008703
RECORD_TITLE: M-METHYLBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: M-METHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
CH$LINK: INCHIKEY
OVWYEQOVUDKZNU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6060717
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-01bc-9600000000-7f4acd144c76cb1a232a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 2.11 21
29 5.7 57
37 1.72 17
38 3.57 36
39 19.99 200
40 1.08 11
41 2.84 28
50 6.75 68
51 10.33 103
52 2.23 22
53 1.01 10
61 2.16 22
62 5.99 60
63 16.09 161
64 3.25 33
65 28.36 284
66 1.61 16
74 2.32 23
75 1.44 14
77 1.08 11
85 1.01 10
86 1.44 14
87 1.13 11
89 10.2 102
90 3.75 38
91 99.99 999
92 11.4 114
119 86.15 862
120 85.48 855
121 6.29 63
//
system version 2.2.6-SNAPSHOT