MassBank Record: MSBNK-Keio_Univ-KO001028
ACCESSION: MSBNK-Keio_Univ-KO001028
RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H029
CH$NAME: Harman
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10N2
CH$EXACT_MASS: 182.08440
CH$SMILES: CC1=NC=CC2=C1NC3=CC=CC=C23
CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
CH$LINK: CAS
486-84-0
CH$LINK: KEGG
C09209
CH$LINK: NIKKAJI
J1.550D
CH$LINK: PUBCHEM
SID:11400
CH$LINK: INCHIKEY
PSFDQSOCUJVVGF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80197568
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 181
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-2c091f7fb293a5702807
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
42.000 44554.5 8
45.200 19802.0 4
59.300 237624.0 43
72.800 19802.0 4
92.800 108911.0 20
99.100 222772.5 40
120.900 123762.5 22
122.900 34653.5 6
129.400 24752.5 4
136.900 39604.0 7
141.500 79208.0 14
151.300 113861.5 21
181.300 5529708.5 999
//